8-Chloro-1-Methyl-6-Phenyl-4H-[1,2,4]Triazolo[4,3-A][1,4]Benzodiazepin-4-Ol

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Formula C17H13ClN4O
IUPAC Name 8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
Molecular Mass 324.764 g·mol−1
Heat of Formation 293.7 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 357.61 Å 3
Surface Area 310.28 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey CEYGCFLPQFNPST-QGZVFWFLSA-N
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Elements H C N O Cl