3-(Cyclopropylmethyl)-6-Methyl-1,2,3,4,5,6-Hexahydro-3-Benzazocin-8-Ol

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Properties Simple | Detailed

Formula C16H23NO
IUPAC Name (3s,6r)-3-(cyclopropylmethyl)-6-methyl-2,4,5,6-tetrahydro-1h-3-benzazocin-8-ol
Molecular Mass 245.360 g·mol−1
Heat of Formation -76.2 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 327.8 Å 3
Surface Area 284.07 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
InChIKey KXELLSSTRSGFIW-GFCCVEGCSA-N
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