Phenylsydnone

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Properties Simple | Detailed

Formula C8H11N2O2+
IUPAC Name 3-phenyloxadiazol-3-ium-5-olate
Molecular Mass 167.185 g·mol−1
Heat of Formation 124.7 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 179.17 Å 3
Surface Area 181.79 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.60 ± 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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