(2R,6R,11R)-3-Benzyl-6,11-Dimethyl-1,2,3,4,5,6-Hexahydro-2,6-Methano-3-Benzazocine

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Properties Simple | Detailed

Formula C21H25N
IUPAC Name (2r,6r,11r)-3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
Molecular Mass 291.430 g·mol−1
Heat of Formation 119.0 ± 16.7 kJ·mol−1
Dipole Moment 0.92 ± 1.08 D
Volume 381.75 Å 3
Surface Area 314.95 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • deoxy-n-benzylnormetazocine
CAS Number(s)
  • 147384-62-1
InChIKey QAAXWTHVNTVMCJ-ZLGUVYLKSA-N
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Elements H C N