1H-1,4-Benzodiazepin-1-Ethanaminium, 7-Chloro-2,3-Dihydro-N,N,N-Trimethyl-2-Oxo-5-Phenyl-

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Properties Simple | Detailed

Formula C20H23ClN3O+
IUPAC Name 2-(7-chloro-2-oxo-5-phenyl-3h-1,4-benzodiazepin-1-yl)ethyl-trimethyl-ammonium
Molecular Mass 356.869 g·mol−1
Heat of Formation 2719.3 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 364.57 Å 3
Surface Area 333.99 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -2.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(7-chloro-2-keto-5-phenyl-3h-1,4-benzodiazepin-1-yl)ethyl-trimethyl-ammonium
  • 2-(7-chloro-2-oxo-5-phenyl-3h-1,4-benzodiazepin-1-yl)ethyl-trimethyl-ammonium
  • 2-(7-chloro-2-oxo-5-phenyl-3h-1,4-benzodiazepin-1-yl)ethyl-trimethyl-azanium
  • 2-(7-chloro-2-oxo-5-phenyl-3h-1,4-benzodiazepin-1-yl)ethyl-trimethylammonium
  • ro 7-0213
  • ro-7-0213
CAS Number(s)
  • 123723-78-4
InChIKey DQIBMRGQGYVLCT-UHFFFAOYSA-N
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Elements C N O Cl