4-(3-Methylphenyl)-1H-1,2,3-Triazole

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Properties Simple | Detailed

Formula C9H9N3
IUPAC Name 4-(3-methylphenyl)-2h-triazole
Molecular Mass 159.188 g·mol−1
Heat of Formation 310.0 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 193.0 Å 3
Surface Area 193.47 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-methylphenyl)-2h-1,2,3-triazole
  • r20
InChIKey XQHCBHNLRWLGQS-UHFFFAOYSA-N
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DOI
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Elements H C N