1-(4-Aminophenyl)-7,8-Dimethoxy-3,5-Dihydro-4H-2,3-Benzodiazepin-4-One

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Properties Simple | Detailed

Formula C17H17N3O3
IUPAC Name 1-(4-aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
Molecular Mass 311.335 g·mol−1
Heat of Formation -164.5 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 364.34 Å 3
Surface Area 319.61 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • biomol-nt_000179
  • bpbio1_001170
  • tocris-1082
InChIKey MJKADKZSYQWGLL-UHFFFAOYSA-N
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