Aspernigrin A

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Properties Simple | Detailed

Formula C13H23N2O2+
IUPAC Name 6-(cyclohexylmethyl)-4-oxo-piperidine-2,3,5,6-tetraide-3-carboxamide
Molecular Mass 239.334 g·mol−1
Heat of Formation -185.9 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 268.6 Å 3
Surface Area 251.69 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 4-oxo-6-(phenylmethyl)-1h-pyridine-3-carboxamide
  • 6-(benzyl)-4-keto-1h-pyridine-3-carboxamide
InChIKey RUUZDCZRFRLJFC-UHFFFAOYSA-N
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