Phenylsydnone

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Properties Simple | Detailed

Formula C8H6N2O2
IUPAC Name 3-phenyloxadiazol-3-ium-5-olate
Molecular Mass 162.145 g·mol−1
Heat of Formation 124.7 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 179.82 Å 3
Surface Area 181.64 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
  • 3-phenyl-5-oxadiazol-3-iumolate
  • ab-131/25126030
InChIKey KQEVEDHJIGSXDK-UHFFFAOYSA-N
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