(3α,4Beta,8α,9R)-6'-Methoxy-10,11-Dihydrocinchonan-9-Ol

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Properties Simple | Detailed

Formula C20H26N2O2
IUPAC Name (r)-[(1r,2s,4r,5s)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methanol
Molecular Mass 326.433 g·mol−1
Heat of Formation -209.3 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 406.42 Å 3
Surface Area 329.52 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-[(2s,4r,5s)-5-ethyl-2-quinuclidinyl]-(6-methoxy-4-quinolyl)methanol
  • (r)-[(2s,4r,5s)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methanol
  • (r)-[(4r,5s,7s)-5-ethyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
  • smp1_000157
InChIKey LJOQGZACKSYWCH-VPCNSNALSA-N
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