Nicotine 1'-Oxide

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Properties Simple | Detailed

Formula C10H14N2O
IUPAC Name 3-[(1r,2r)-1-methyl-1-oxido-pyrrolidin-1-ium-2-yl]pyridin-1-ium-3-ide
Molecular Mass 178.231 g·mol−1
Heat of Formation 124.6 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 225.18 Å 3
Surface Area 208.75 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey RWFBQHICRCUQJJ-ZYHUDNBSSA-N
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