Aspernigrin A

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Properties Simple | Detailed

Formula C13H12N2O2
IUPAC Name 6-(cyclohexylmethyl)-4-oxo-piperidine-2,3,5,6-tetraide-3-carboxamide
Molecular Mass 228.247 g·mol−1
Heat of Formation -185.7 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 268.88 Å 3
Surface Area 251.93 Å 2
HOMO Energy -9.45 ± 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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