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

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Properties Simple | Detailed

Formula C16H16ClNO3
IUPAC Name (1s)-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
Molecular Mass 305.756 g·mol−1
Heat of Formation -390.4 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 337.48 Å 3
Surface Area 290.52 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • pdsp1_000784
  • pdsp2_000772
  • tocris-1659
InChIKey TVURRHSHRRELCG-ZDUSSCGKSA-N
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Elements H C N O Cl