(4β)-6'-Methoxycinchonan-9-One

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Properties Simple | Detailed

Formula C20H22N2O2
IUPAC Name (6-methoxy-4-quinolyl)-[(1r,2r,4r,5r)-5-vinylquinuclidin-2-yl]methanone
Molecular Mass 322.401 g·mol−1
Heat of Formation -22.0 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 395.86 Å 3
Surface Area 338.98 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (6-methoxy-4-quinolyl)-[(2r,4r,5r)-5-vinyl-2-quinuclidinyl]methanone
  • (6-methoxy-4-quinolyl)-[(2r,4r,5r)-5-vinylquinuclidin-2-yl]methanone
  • [(4r,5r,7r)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanone
InChIKey SRFCUPVBYYAMIL-IQUTYRLHSA-N
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