(3α,4Beta,8α,9S)-Cinchonan-9-Ol

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Properties Simple | Detailed

Formula C19H22N2O
IUPAC Name (s)-4-quinolyl-[(1r,2s,4r,5s)-5-vinylquinuclidin-2-yl]methanol
Molecular Mass 294.391 g·mol−1
Heat of Formation 65.9 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 367.68 Å 3
Surface Area 288.59 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-4-quinolyl-[(2s,4r,5s)-5-vinyl-2-quinuclidinyl]methanol
  • (s)-4-quinolyl-[(2s,4r,5s)-5-vinylquinuclidin-2-yl]methanol
  • (s)-[(4r,5s,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-yl-methanol
  • (s)-[(4r,5s,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-ylmethanol
InChIKey KMPWYEUPVWOPIM-QZCPTFHJSA-N
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