(1R)-3-Allyl-6-Bromo-1-Phenyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine-7,8-Diol

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Formula C19H20BrNO2
IUPAC Name (1r,3r)-3-allyl-6-bromo-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular Mass 374.272 g·mol−1
Heat of Formation -64.8 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 395.68 Å 3
Surface Area 334.32 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-3-allyl-6-bromo-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
  • (1r)-6-bromo-1-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
  • biomol-nt_000064
  • bpbio1_001353
InChIKey KKZGFVAZUKHFAC-MRXNPFEDSA-N
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Elements H C O Br N