(2S)-1-(~11~C)Methylene-2-(3-Pyridinyl)Pyrrolidinium

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Properties Simple | Detailed

Formula C10H13N2+
IUPAC Name 3-[(2s)-1-(111c)methylidenepyrrolidin-1-ium-2-yl]pyridine
Molecular Mass 160.224 g·mol−1
Heat of Formation 1540.3 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 146.32 Å 3
Surface Area 132.92 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-[(2s)-1-methylene-2-pyrrolidin-1-iumyl]pyridine
  • 3-[(2s)-1-methylenepyrrolidin-1-ium-2-yl]pyridine
  • 3-[(2s)-1-methylidenepyrrolidin-1-ium-2-yl]pyridine
  • nicotine delta 1'(5)' iminium ion
  • pyrrolidinium, 1-(methylene-11c)-2-(3-pyridinyl)-, (s)-
CAS Number(s)
  • 74710-78-4
InChIKey CQPZBDGSYDNKTB-FXKBKNDVSA-N
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Elements C N