3-(4-Phenylbutyl)-2,3,4,5-Tetrahydro-1H-3-Benzazepine-1,7-Diol

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Formula C20H25NO2
IUPAC Name (1r,3s)-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepine-1,7-diol
Molecular Mass 311.418 g·mol−1
Heat of Formation -245.9 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 398.01 Å 3
Surface Area 358.99 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
InChIKey KKLZGWQBNXJWGZ-FQEVSTJZSA-N
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