(2S,6S,11S)-6,11-Dimethyl-3-(3-Methylbut-2-En-1-Yl)-1,2,3,4,5,6-Hexahydro-2,6-Methano-3-Benzazocin-8-Ol

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Properties Simple | Detailed

Formula C19H27NO
IUPAC Name (2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Molecular Mass 285.424 g·mol−1
Heat of Formation -181.9 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 378.69 Å 3
Surface Area 320.46 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • ()-pentazocine
  • pdsp2_001657
InChIKey VOKSWYLNZZRQPF-CCKFTAQKSA-N
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