1,5-Dihydroxy-3,6-Diisobutyl-2(1H)-Pyrazinone 4-Oxide

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Formula C12H20N2O4
IUPAC Name 1,5-dihydroxy-3,6-diisobutyl-4-oxido-pyrazin-4-ium-2-one
Molecular Mass 256.298 g·mol−1
Heat of Formation -467.1 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 312.97 Å 3
Surface Area 262.52 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-dihydroxy-3,6-bis(2-methylpropyl)-4-oxido-pyrazin-4-ium-2-one
  • 1,5-dihydroxy-3,6-bis(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one
  • 1,5-dihydroxy-3,6-diisobutyl-4-oxido-2-pyrazin-4-iumone
  • 1,5-dihydroxy-3,6-diisobutyl-4-oxido-pyrazin-4-ium-2-one
  • 2,5-diisobutyl-3,6-dihydroxy-pyrazine-1,4-dioxide
  • 2,5-pyrazinediol, 3,6-bis(2-methylpropyl)-, 1,4-dioxide
  • pulcherriminic acid
CAS Number(s)
  • 957-86-8
InChIKey BUHPPQFOKKRDPX-UHFFFAOYSA-N
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