(1S)-6-Chloro-1-Phenyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine-7,8-Diol

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Properties Simple | Detailed

Formula C16H16ClNO2
IUPAC Name (1s)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
Molecular Mass 289.757 g·mol−1
Heat of Formation -202.5 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 325.72 Å 3
Surface Area 280.08 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • tocris-1447
InChIKey GHWJEDJMOVUXEC-ZDUSSCGKSA-N
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Elements H C N O Cl