8-Chloro-6-(2-Chlorophenyl)-N,N-Dimethyl-4H-1,2,4-Triazolo(1,5-A)(1,4)Benzodiazepine-2-Carboxamide

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Formula C19H15Cl2N5O
IUPAC Name 8-chloro-6-(2-chlorophenyl)-n,n-dimethyl-4h-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
Molecular Mass 400.261 g·mol−1
Heat of Formation 303.3 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 432.21 Å 3
Surface Area 364.29 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-(1,2,4)triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide, 8-chloro-6-(2-chlorophenyl)-n,n-dimethyl-
CAS Number(s)
  • 50330-59-1
InChIKey YMJXPUGNWIWFJI-UHFFFAOYSA-N
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Elements H C N O Cl