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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H13ClN4O
IUPAC Name (8-chloro-6-phenyl-4h-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl)methanol
Molecular Mass 324.764 g·mol−1
Heat of Formation 311.7 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 357.41 Å 3
Surface Area 314.69 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-hydroxyalprazolam
CAS Number(s)
  • 37115-43-8
InChIKey ZURUZYHEEMDQBU-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl