{"id":11005,"date":"2022-11-16T03:23:12","date_gmt":"2022-11-15T19:23:12","guid":{"rendered":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005"},"modified":"2022-11-16T03:23:12","modified_gmt":"2022-11-15T19:23:12","slug":"enchev-v-s-team-published-research-in-journal-of-molecular-structure-theochem-in-1992-06-22-cas-27412-71-1","status":"publish","type":"post","link":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005","title":{"rendered":"Enchev, V.&#8217;s team published research in Journal of Molecular Structure: THEOCHEM  in 1992-06-22 | CAS: 27412-71-1"},"content":{"rendered":"<p>Enchev, V. published the artcile<b><i>Tautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers<\/i><\/b>,  <a href=\"https:\/\/www.ambeed.com\/products\/27412-71-1.html\">Application In Synthesis of  27412-71-1<\/a>,  the main research area is  pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.<\/p>\n<p>The heats of formation, dipole moments, polarizabilities and ionization potentials of 96 compounds, eight theor. possible tautomeric forms of N-unsubstituted pyrazolones (hydroxypyrazoles) and 11 of their C-substituted derivatives, are calculated by means of the MNDO method, with and without CI. The MNDO + CI results for the relative stabilities are in agreement with the available exptl. data. They present that in all cases the most stable in the vapor phase are hydroxypyrazole forms, excepting 3- and 4-Ph substituted compounds, among which the most stable are the 2-pyrazolin-5-one and 1-pyrazolin-3-one forms, resp. The influence of the substituents on the quantities characterizing the electronic structure is discussed.<\/p>\n<p>Journal of Molecular Structure: THEOCHEM published new progress about Dipole moment. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, <a href=\"https:\/\/www.ambeed.com\/products\/27412-71-1.html\">Application In Synthesis of  27412-71-1<\/a>.<\/p>\n<p>Referemce:<br \/><a href=\"https:\/\/en.wikipedia.org\/wiki\/Pyrazole\">Pyrazole &#8211; Wikipedia<\/a>,<br \/><a href=\"https:\/\/www.sciencedirect.com\/topics\/chemistry\/pyrazoles\">Pyrazoles &#8211; an overview | ScienceDirect Topics<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Journal of Molecular Structure: THEOCHEM published new progress about Dipole moment. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, <a href=\"https:\/\/www.ambeed.com\/products\/27412-71-1.html\">Application In Synthesis of  27412-71-1<\/a>.<\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[678,131],"tags":[717],"class_list":["post-11005","post","type-post","status-publish","format-standard","hentry","category-27412-71-1","category-pyrazoles-derivatives","tag-m-w150-200"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v24.9 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Enchev, V.&#039;s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1 | pyrazoles-derivatives<\/title>\n<meta name=\"description\" content=\"Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Enchev, V.&#039;s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1 | pyrazoles-derivatives\" \/>\n<meta property=\"og:description\" content=\"Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005\" \/>\n<meta property=\"og:site_name\" content=\"pyrazoles-derivatives\" \/>\n<meta property=\"article:published_time\" content=\"2022-11-15T19:23:12+00:00\" \/>\n<meta name=\"author\" content=\"Jessica.F\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Jessica.F\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005\",\"url\":\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005\",\"name\":\"Enchev, V.'s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1 | pyrazoles-derivatives\",\"isPartOf\":{\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#website\"},\"datePublished\":\"2022-11-15T19:23:12+00:00\",\"author\":{\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\"},\"description\":\"Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.\",\"breadcrumb\":{\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/?p=11005#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"\u9996\u9875\",\"item\":\"https:\/\/www.pyrazoles-derivatives.com\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Enchev, V.&#8217;s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#website\",\"url\":\"https:\/\/www.pyrazoles-derivatives.com\/\",\"name\":\"pyrazoles-derivatives\",\"description\":\"Several pyrazole derivatives possess important pharmacological activities and they have been proved useful materials in drug research. Pyrazole derivatives play an important role in antitumor agents.\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.pyrazoles-derivatives.com\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\",\"name\":\"Jessica.F\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/en.cravatar.com\/avatar\/2d1cec2a99eeaad5a5b217c9cdbfb610?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/en.cravatar.com\/avatar\/2d1cec2a99eeaad5a5b217c9cdbfb610?s=96&d=mm&r=g\",\"caption\":\"Jessica.F\"}}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Enchev, V.'s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1 | pyrazoles-derivatives","description":"Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005","og_locale":"en_US","og_type":"article","og_title":"Enchev, V.'s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1 | pyrazoles-derivatives","og_description":"Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.","og_url":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005","og_site_name":"pyrazoles-derivatives","article_published_time":"2022-11-15T19:23:12+00:00","author":"Jessica.F","twitter_card":"summary_large_image","twitter_misc":{"Written by":"Jessica.F","Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005","url":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005","name":"Enchev, V.'s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1 | pyrazoles-derivatives","isPartOf":{"@id":"https:\/\/www.pyrazoles-derivatives.com\/#website"},"datePublished":"2022-11-15T19:23:12+00:00","author":{"@id":"https:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1"},"description":"Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.","breadcrumb":{"@id":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.pyrazoles-derivatives.com\/?p=11005"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/www.pyrazoles-derivatives.com\/?p=11005#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"\u9996\u9875","item":"https:\/\/www.pyrazoles-derivatives.com\/"},{"@type":"ListItem","position":2,"name":"Enchev, V.&#8217;s team published research in Journal of Molecular Structure: THEOCHEM in 1992-06-22 | CAS: 27412-71-1"}]},{"@type":"WebSite","@id":"https:\/\/www.pyrazoles-derivatives.com\/#website","url":"https:\/\/www.pyrazoles-derivatives.com\/","name":"pyrazoles-derivatives","description":"Several pyrazole derivatives possess important pharmacological activities and they have been proved useful materials in drug research. 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