(1R,9S,13R)-10,13-Dimethyl-10-Azatricyclo[7.3.1.0~2,7~]Trideca-2,4,6-Trien-4-Ol

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Formula C14H19NO
IUPAC Name (1r,9s,13r)-10,13-dimethyl-10-azatricyclo[7.3.1.0 2,7 ]trideca-2,4,6-trien-4-ol
Molecular Mass 217.307 g·mol−1
Heat of Formation 111.1 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 275.61 Å 3
Surface Area 243.59 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4,5,6-hexahydro-3,11-dimethyl-2,6-methano-3-benzazocin-8-ol
  • 2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-dimethyl-, (2alpha,6alpha,11r*)-
  • 2,9alpha-dimethyl-2'-hydroxy-6,7-benzomorphan
CAS Number(s)
  • 57884-89-6
InChIKey SVPZRQDNNLAJMW-IUPBHXKESA-N
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