(4S)-2,2-Dimethyl-4-(1-Oxido-2-Pyridinyl)-6-Chromanecarbonitrile

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Formula C17H22N2O2+
IUPAC Name (4s)-2,2-dimethyl-4-(1-oxidopiperidine-2,3,4,5,6-pentaid-2-yl)chromane-6-carbonitrile
Molecular Mass 286.369 g·mol−1
Heat of Formation 60.7 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 339.32 Å 3
Surface Area 298.01 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-6-chromancarbonitrile
  • (4s)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chroman-6-carbonitrile
InChIKey IPASVSRDRRKZCQ-AWEZNQCLSA-N
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