Difenzoquat

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Properties Simple | Detailed

Formula C17H17N2+
IUPAC Name 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium
Molecular Mass 249.330 g·mol−1
Heat of Formation 2792.2 ± 16.7 kJ·mol−1
Dipole Moment 0.05 ± 1.08 D
Volume 304.9 Å 3
Surface Area 294.19 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C2
Synonyms
  • 1,2-dimethyl-3,5-di(phenyl)pyrazol-1-ium
  • 1,2-dimethyl-3,5-diphenyl-1h-pyrazolium
  • 1,2-dimethyl-3,5-diphenylpyrazolium ion
  • 1h-pyrazolium, (1,2-dimethyl-3,5-diphenyl)-
  • 1h-pyrazolium, 1,2-dimethyl-3,5-diphenyl-
  • 1h-pyrazolium, 1,2-dimethyl-3,5-diphenyl- (9ci)
  • difenzoquat [ansi:bsi:iso]
  • einecs 256-505-3
CAS Number(s)
  • 49866-87-7
InChIKey LBGPXIPGGRQBJW-UHFFFAOYSA-N
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