6-Bromo-1,4-Dihydropyrazino[2,3-B]Pyrazine-2,3-Dione

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Properties Simple | Detailed

Formula C6H3BrN4O2
IUPAC Name 6-bromopyrazino[2,3-b]pyrazine-1,4-diium-2,3-dione
Molecular Mass 243.018 g·mol−1
Heat of Formation -71.5 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 195.94 Å 3
Surface Area 195.43 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3-dihydroxy-6-bromopyrazino(2,3b)pyrazine
  • 2-bromo-5,8-dihydropyrazino[5,6-b]pyrazine-6,7-quinone
  • 6-bromopyrazino(2,3-b)pyrazine-2,3-diol
  • pyrazino(2,3-b)pyrazine-2,3-dione, 6-bromo-1,4-dihydro-
CAS Number(s)
  • 22855-28-3
InChIKey YUBYUYJASYZFFW-UHFFFAOYSA-N
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Elements H C O Br N