3,5-Diphenyl-S-Triazole

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Properties Simple | Detailed

Formula C14H11N3
IUPAC Name 1,4-diphenyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-diene
Molecular Mass 221.257 g·mol−1
Heat of Formation 479.9 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 265.48 Å 3
Surface Area 255.16 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-di(phenyl)-1,2,3-triazole
  • 1,4-diphenyl-1,2,3-triazole
  • 1h-1,2,3-triazole, 1,4-diphenyl-
CAS Number(s)
  • 13148-78-2
InChIKey UIXYUQXWIFEYBN-UHFFFAOYSA-N
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