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

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Properties Simple | Detailed

Formula C16H17NO2
IUPAC Name (5s)-5-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
Molecular Mass 255.312 g·mol−1
Heat of Formation -165.8 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 306.87 Å 3
Surface Area 267.31 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • tocris-0922
InChIKey JUDKOGFHZYMDMF-AWEZNQCLSA-N
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