1,2,4-Oxadiazol-3-Ylpyrazine

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Properties Simple | Detailed

Formula C6H4N4O
IUPAC Name 3-pyrazin-2-yl-1,2,4-oxadiazole
Molecular Mass 148.122 g·mol−1
Heat of Formation 339.9 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 160.11 Å 3
Surface Area 165.87 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(1,2,4-oxadiazol-3-yl)pyrazine
  • 3-pyrazinyl-1,2,4-oxadiazole
  • pyrazine, 1,2,4-oxadiazol-3-yl-
CAS Number(s)
  • 112570-98-6
InChIKey UMLFDKVERILJEA-UHFFFAOYSA-N
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