3-(1H-1,2,4-Triazol-1-Ylmethyl)Aniline

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Properties Simple | Detailed

Formula C9H10N4
IUPAC Name 3-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-ylmethyl)aniline
Molecular Mass 174.202 g·mol−1
Heat of Formation 312.6 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 214.51 Å 3
Surface Area 207.21 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • benzenamine, 3-(1h-1,2,4-triazol-1-ylmethyl)-
  • cc 45414
InChIKey LFINNEVQJQXPHN-UHFFFAOYSA-N
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Elements H C N