Ethyl (13Ar)-7-Methoxy-9-Oxo-11,12,13,13A-Tetrahydro-9H-Imidazo[1,5-A]Pyrrolo[2,1-C][1,4]Benzodiazepine-1-Carboxylate

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Properties Simple | Detailed

Formula C18H19N3O4
IUPAC Name ethyl (13ar)-7-methoxy-9-oxo-11,12,13,13a-tetrahydro-9h-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate
Molecular Mass 341.361 g·mol−1
Heat of Formation -419.5 ± 16.7 kJ·mol−1
Dipole Moment 7.19 ± 1.08 D
Volume 388.97 Å 3
Surface Area 338.28 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • tocris-1327
InChIKey YKYOQIXTECBVBB-CQSZACIVSA-N
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