3-(2-Methyl-2-Propanyl)-1,2,3-Oxadiazol-3-Ium-5-Olate

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Properties Simple | Detailed

Formula C6H15N2O2+
IUPAC Name 3-tert-butyloxadiazol-3-ium-5-olate
Molecular Mass 147.195 g·mol−1
Heat of Formation -104.3 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 174.74 Å 3
Surface Area 170.75 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-tert-butyl-1,2,3-oxadiazol-3-ium-5-olate
  • 3-tert-butyl-5-oxadiazol-3-iumolate
  • 3-tert-butylsydnone
  • n-tert-butylsydnone
  • sydnone, 3-(1,1-dimethylethyl)-
  • sydnone, 3-(1,1-dimethylethyl)- (9ci)
  • sydnone, 3-tert-butyl-
CAS Number(s)
  • 6939-25-9
InChIKey YPJWMANOXFBBFC-UHFFFAOYSA-N
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