(4β,9S)-6'-Methoxycinchonan-9-Ol

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Properties Simple | Detailed

Formula C20H24N2O2
IUPAC Name (s)-(6-methoxy-4-quinolyl)-[(1r,2r,4r,5r)-5-vinylquinuclidin-2-yl]methanol
Molecular Mass 324.417 g·mol−1
Heat of Formation -93.9 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 400.99 Å 3
Surface Area 339.25 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-(6-methoxy-4-quinolyl)-[(2r,4r,5r)-5-vinyl-2-quinuclidinyl]methanol
  • (s)-(6-methoxy-4-quinolyl)-[(2r,4r,5r)-5-vinylquinuclidin-2-yl]methanol
  • (s)-[(4r,5r,7r)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
  • bpbio1_000176
InChIKey LOUPRKONTZGTKE-SMHQJORMSA-N
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