4-Carbamoyl-1-(3-{4-[(Oxoammonio)Methylene]-1(4H)-Pyridinyl}Propyl)Pyridinium

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Properties Simple | Detailed

Formula C15H18N4O2++
IUPAC Name [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium
Molecular Mass 286.329 g·mol−1
Heat of Formation 180.8 ± 16.7 kJ·mol−1
Dipole Moment 10.44 ± 1.08 D
Volume 341.89 Å 3
Surface Area 272.12 Å 2
HOMO Energy -6.20 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
Synonyms
  • [1-[3-(4-aminocarbonylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxo-azanium
  • [1-[3-(4-carbamoyl-1-pyridin-1-iumyl)propyl]-4-pyridylidene]methyl-oxoammonium
  • [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-keto-ammonium
  • [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium
  • [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium
  • pyridinium, 4-(aminocarbonyl)-1-(3-(4-((hydroxyimino)methyl)pyridinio)propyl)-
  • tacarb
  • trimethylene-1-(4-aldoximinopyridinium)-1'-(4-carboxamidopyridinium)
CAS Number(s)
  • 80466-19-9
InChIKey KCCVYOKFPFWMQG-UHFFFAOYSA-P
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