1-(4-Fluorophenyl)-4-[(1R,9R,13R)-4-Hydroxy-1,13-Dimethyl-10-Azatricyclo[7.3.1.0~2,7~]Trideca-2,4,6-Trien-10-Yl]-1-Butanone

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Properties Simple | Detailed

Formula C24H28FNO2
IUPAC Name 1-(4-fluorophenyl)-4-[(1r,9r,13r)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.0 2,7 ]trideca-2,4,6-trien-10-yl]-1-butanone
Molecular Mass 381.483 g·mol−1
Heat of Formation -462.0 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 473.05 Å 3
Surface Area 366.76 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydro-8-hydroxy-6,11-dimethyl-2,6-methano-3-benzazocin-3(2h)-yl)-, (2-alpha,6-alpha,11r*)-
  • 2-(3-(p-fluorobenzoyl)-1-propyl)-5-alpha,9-alpha-dimethyl-2'-hydroxy-6,7-benzomorphan
CAS Number(s)
  • 56390-16-0
InChIKey SMDNOEGDKSJRPV-XTZPKPCCSA-N
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