7-Chloro-4-Hydroxy-N-Methyl-N-Nitroso-5-Phenyl-3,4-Dihydro-2H-1,4-Benzodiazepin-2-Iminium

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Properties Simple | Detailed

Formula C16H16ClN4O2+
IUPAC Name (7-chloro-4-hydroxy-5-phenyl-3h-1,4-benzodiazepin-2-ylidene)-methyl-nitrosoazanium
Molecular Mass 331.777 g·mol−1
Heat of Formation 346.8 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 361.94 Å 3
Surface Area 320.15 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (7-chloro-4-hydroxy-5-phenyl-3h-1,4-benzodiazepin-2-ylidene)-methyl-nitroso-ammonium
  • (7-chloro-4-hydroxy-5-phenyl-3h-1,4-benzodiazepin-2-ylidene)-methyl-nitroso-azanium
  • (7-chloro-4-hydroxy-5-phenyl-3h-1,4-benzodiazepin-2-ylidene)-methyl-nitrosoammonium
InChIKey JOMCHBVHOJPHJN-UHFFFAOYSA-N
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Elements H C N O Cl