7-Chloro-N-Methyl-5-(1H-Pyrrol-2-Yl)-3H-1,4-Benzodiazepin-2-Amine

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Properties Simple | Detailed

Formula C14H13ClN4
IUPAC Name 7-chloro-n-methyl-5-pyrrol-1-ium-2-ylium-2-yl-3h-1,4-benzodiazepin-2-amine
Molecular Mass 272.733 g·mol−1
Heat of Formation 338.3 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 311.63 Å 3
Surface Area 284.72 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (9ci)
  • 3h-1,4-benzodiazepin-2-amine, 7-chloro-n-methyl-5-(1h-pyrrol-2-yl)-
  • 3h-1,4-benzodiazepin-2-amine, 7-chloro-n-methyl-5-(1h-pyrrol-2-yl)-,
  • [7-chloro-5-(1h-pyrrol-2-yl)-3h-1,4-benzodiazepin-2-yl]-methyl-amine
  • drg-0154
  • ro 24-7429
  • ro-24-7429
  • ro24-7429
CAS Number(s)
  • 139339-45-0
InChIKey LEAKQIXYSHIHCW-UHFFFAOYSA-N
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Elements H C N Cl