(4β,8Alpha,9R)-Cinchonan-9-Ol

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Properties Simple | Detailed

Formula C19H22N2O
IUPAC Name (r)-4-quinolyl-[(1r,2s,4r,5r)-5-vinylquinuclidin-2-yl]methanol
Molecular Mass 294.391 g·mol−1
Heat of Formation 82.4 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 366.48 Å 3
Surface Area 312.75 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-4-quinolyl-[(2s,4r,5r)-5-vinyl-2-quinuclidinyl]methanol
  • (r)-4-quinolyl-[(2s,4r,5r)-5-vinylquinuclidin-2-yl]methanol
  • (r)-[(4r,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-yl-methanol
  • (r)-[(4r,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-ylmethanol
  • bpbio1_000564
InChIKey KMPWYEUPVWOPIM-QABNGEJJSA-N
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