6-Oxo-1,6-Dihydro-2-Pyrazinecarboxylic Acid 4-Oxide

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Properties Simple | Detailed

Formula C5H4N2O4
IUPAC Name 4-oxido-6-oxo-piperazine-2,3,5-triide-2-carboxylic acid
Molecular Mass 156.096 g·mol−1
Heat of Formation -420.4 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 157.85 Å 3
Surface Area 163.85 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,6-dihydro-6-oxo-2-pyrazinecarboxylic acid 4-oxide
  • 4-oxido-6-oxo-1h-pyrazin-4-ium-2-carboxylic acid
  • 6-keto-4-oxido-1h-pyrazin-4-ium-2-carboxylic acid
  • pyrazinecarboxylic acid, 1,6-dihydro-6-oxo-, 4-oxide
CAS Number(s)
  • 34597-54-1
  • 77775-35-0
InChIKey USYLSUNSEMPJGK-UHFFFAOYSA-N
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