Ro 21-3982

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Properties Simple | Detailed

Formula C18H13Cl2N3
IUPAC Name 8-chloro-6-(2-chlorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine
Molecular Mass 342.222 g·mol−1
Heat of Formation 332.2 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 371.21 Å 3
Surface Area 310.46 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(1,5-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-methyl-
  • 8-chloro-6-(o-chlorophenyl)-1-methyl-4h-imidazo(1,5-a)(1,4)benzodiazepine
CAS Number(s)
  • 59467-77-5
InChIKey CHCISLOJADQUNQ-UHFFFAOYSA-N
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Elements H C N Cl