4H-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepine-1-Methanol, 8-Chloro-6-(2-Chlorophenyl)-

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Formula C17H12Cl2N4O
IUPAC Name [8-chloro-6-(2-chlorophenyl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
Molecular Mass 359.209 g·mol−1
Heat of Formation 255.1 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 380.28 Å 3
Surface Area 318.6 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxymethyltriazolam
  • alpha-hydroxytriazolam
CAS Number(s)
  • 37115-45-0
InChIKey BHUYWUDMVCLHND-UHFFFAOYSA-N
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Elements H C N O Cl