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

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Properties Simple | Detailed

Formula C19H16Cl2N6O
IUPAC Name n-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4h-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
Molecular Mass 415.276 g·mol−1
Heat of Formation 304.9 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 447.73 Å 3
Surface Area 388.68 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1012s
  • 4h-(1,2,4)triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide, n-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-
CAS Number(s)
  • 95211-91-9
InChIKey CRZHRKFDJLUMRR-UHFFFAOYSA-N
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Elements H C N O Cl