(2S,6R,11R)-3,6,11-Trimethyl-1,2,3,4,5,6-Hexahydro-2,6-Methano-3-Benzazocin-8-Ol

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Formula C15H21NO
IUPAC Name (2s,6r,11r)-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Molecular Mass 231.333 g·mol−1
Heat of Formation 84.8 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 298.17 Å 3
Surface Area 253.86 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-ol
  • (+-)-metazocine
  • 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-ol
  • 2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2-alpha,6-alpha,11r*)-, (+-)-
  • 2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2alpha,6alpha,11r*)-
  • 2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, trans-
  • mcv 4430
CAS Number(s)
  • 36402-80-9
  • 58640-79-2
  • 75257-89-5
  • 1509-00-8
  • 25144-79-0
InChIKey YGSVZRIZCHZUHB-NZVBXONLSA-N
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