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

Molecule SVG Image

Properties Simple | Detailed

Formula C6H10N2O2
IUPAC Name 3-tert-butyloxadiazol-3-ium-5-olate
Molecular Mass 142.156 g·mol−1
Heat of Formation -104.3 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 174.93 Å 3
Surface Area 170.79 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N