7-Chloro-N-Methyl-N-Nitroso-5-Phenyl-3H-1,4-Benzodiazepin-2-Amine 4-Oxide

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Properties Simple | Detailed

Formula C16H14ClN4O2+
IUPAC Name n-(7-chloro-4-oxido-5-phenyl-3h-1,4-benzodiazepin-4-ium-2-yl)-n-methyl-nitrous amide
Molecular Mass 329.761 g·mol−1
Heat of Formation 346.8 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 361.39 Å 3
Surface Area 320.34 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-1,4-benzodiazepin-2-amine, 7-chloro-n-methyl-n-nitroso-5-phenyl-, 4-oxide
  • n-(7-chloro-4-oxido-5-phenyl-3h-1,4-benzodiazepin-4-ium-2-yl)-n-methyl-nitrous amide
  • n-(7-chloro-4-oxido-5-phenyl-3h-1,4-benzodiazepin-4-ium-2-yl)-n-methylnitrous amide
  • n-nitrosochlordiazepoxide
  • n-nitrosochlorodiazepoxide
  • nitrosochlordiazepoxide
CAS Number(s)
  • 51715-17-4
InChIKey VGNMVQBFGJATJZ-UHFFFAOYSA-N
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