(5R)-8-Chloro-3-Methyl-5-Phenyl-2,3,4,5-Tetrahydro-1H-3-Benzazepin-7-Ol

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Properties Simple | Detailed

Formula C17H18ClNO
IUPAC Name (5r)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 287.784 g·mol−1
Heat of Formation -35.0 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 340.34 Å 3
Surface Area 292.62 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • biomol-nt_000016
  • bpbio1_001173
  • pdsp1_000615
  • pdsp1_001523
  • pdsp2_000612
  • pdsp2_001507
  • tocris-0925
InChIKey GOTMKOSCLKVOGG-OAHLLOKOSA-N
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Elements H C N O Cl