6-Methyl-5-Oxo-4,5-Dihydro-2-Pyrazinecarboxylic Acid 1-Oxide

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Properties Simple | Detailed

Formula C6H10N2O4+
IUPAC Name 6-methyl-1-oxido-5-oxo-piperazine-2,3,6-triide-2-carboxylic acid
Molecular Mass 174.155 g·mol−1
Heat of Formation -459.4 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 176.37 Å 3
Surface Area 177.9 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-dhopzca-1
  • 4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylic acid 1-oxide
  • 5-keto-6-methyl-1-oxido-4h-pyrazin-1-ium-2-carboxylic acid
  • 6-methyl-1-oxido-5-oxo-4h-pyrazin-1-ium-2-carboxylic acid
  • pyrazinecarboxylic acid, 4,5-dihydro-6-methyl-5-oxo-, 1-oxide
CAS Number(s)
  • 77168-88-8
InChIKey HUHOTJLLTVPPTE-UHFFFAOYSA-N
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