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

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Properties Simple | Detailed

Formula C22H26FNO
IUPAC Name (1r,9s,13r)-10-[2-(4-fluorophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.0 2,7 ]trideca-2,4,6-trien-4-ol
Molecular Mass 339.446 g·mol−1
Heat of Formation -32.6 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 426.48 Å 3
Surface Area 354.61 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-methano-3-benzazocin-8-ol, 3-(2-(4-fluorophenyl)ethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2-alpha,6-alpha,11r*)-
  • 5,9 alpha-dimethyl-2-(2-(4-fluorophenyl)ethyl)-2'-hydroxybenzomorphan
  • fluorophen
CAS Number(s)
  • 86495-14-9
InChIKey PUPFATUGTIQBQA-UZQPLGKSSA-N
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