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

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Formula C16H23NO
IUPAC Name (1r,9r,13r)-1,13-diethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular Mass 245.360 g·mol−1
Heat of Formation -205.5 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 317.95 Å 3
Surface Area 263.96 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-5,9alpha-diethyl-2'-hydroxybenzomorphan
  • 2,6-methano-3-benzazocin-8-ol, 6,11-diethyl-1,2,3,4,5,6-hexahydro-, (2r-(2alpha,6alpha,11r*))-
  • 5,9 alpha-diethyl-2'-hydroxybenzomorphan
  • 5,9-dehb
CAS Number(s)
  • 73574-12-6
InChIKey NDOSJFXEUZWLCD-NUEKZKHPSA-N
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