Ab initio studies of hindered aryl rotations of methaqualone, mecloqualone, and 3-(2,6-difluorophenyl)-2-methyl-4(3H)-quinazolinone

Spectroscopy Letters

Volumn 35, Issue 2, 2002, Pages 257-274

  Azanli, Erol ^a   Rothchild, Robert ^a,b   Sapse, Anne Marie ^a,b,c  

^a JOHN JAY COLLEGE OF CRIMINAL JUSTICE   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

^c ROCKEFELLER UNIVERSITY   (United States)

Author keywords

3 Aryl 2 methyl 4(3H) quinazolinones; Axial chirality; Hartree Fock 6 31G*; Hindered rotation; Methaqualone

Indexed keywords

3 (2,6 DIFLUOROPHENYL) 2 METHYL 4(3H) QUINAZOLINONE; METHAQUALONE; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; QUINAZOLINE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CHIRALITY; CONFORMATION; GEOMETRY; MATHEMATICAL ANALYSIS; MOLECULAR MECHANICS; ROTATION; STEREOSPECIFICITY; STRUCTURE ANALYSIS;

EID: 0036328272     PISSN: 00387010     EISSN: None     Source Type: Journal    
DOI: 10.1081/SL-120003811     Document Type: Article

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