Cotinine N-Oxide

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Properties Simple | Detailed

Formula C10H12N2O2
IUPAC Name (5s)-1-methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
Molecular Mass 192.214 g·mol−1
Heat of Formation -98.0 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 229.57 Å 3
Surface Area 213.15 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-1-methyl-5-(1-oxido-3-pyridin-1-iumyl)-2-pyrrolidinone
  • (5s)-1-methyl-5-(1-oxidopyridin-1-ium-3-yl)-2-pyrrolidone
  • (5s)-1-methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
InChIKey CIPULDKLIIVIER-VIFPVBQESA-N
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