2-Methyl-2-(1-Oxido-3-Pyridinyl)-1-(3-Pyridinyl)-1-Propanone

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Properties Simple | Detailed

Formula C14H14N2O2
IUPAC Name 2-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1-(3-pyridyl)propan-1-one
Molecular Mass 242.273 g·mol−1
Heat of Formation 2172.4 ± 16.7 kJ·mol−1
Dipole Moment 13.38 ± 1.08 D
Volume 218.92 Å 3
Surface Area 196.31 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -3.08 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-propanone, 2-methyl-1,3-di-3-pyridinyl-, n-oxide
  • 2-methyl-2-(1-oxido-3-pyridin-1-iumyl)-1-(3-pyridyl)propan-1-one
  • 2-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1-(3-pyridyl)propan-1-one
  • 2-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1-pyridin-3-yl-propan-1-one
  • 2-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1-pyridin-3-ylpropan-1-one
  • metyrapone n-oxide
CAS Number(s)
  • 63473-06-3
InChIKey GELOUZMFFBRHFP-UHFFFAOYSA-N
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