4-Methyl-5-Oxo-3-(2-Phenylethyl)-5H-1,2,3-Oxadiazol-3-Ium-2-Ide

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Properties Simple | Detailed

Formula C11H17N2O2+
IUPAC Name 4-methyl-3-(2-phenylethyl)oxadiazol-3-ium-5-olate
Molecular Mass 209.265 g·mol−1
Heat of Formation 32.9 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 250.31 Å 3
Surface Area 224.58 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey BNJCAPQZAQOQRK-UHFFFAOYSA-N
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