N-(4-Chlorobenzyl)-3-(2-Furyl)-1H-1,2,4-Triazol-5-Amine

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Properties Simple | Detailed

Formula C13H11ClN4O
IUPAC Name n-[(4-chlorophenyl)methyl]-5-(2-furyl)-1h-1,2,4-triazol-3-amine
Molecular Mass 274.706 g·mol−1
Heat of Formation 288.8 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 307.31 Å 3
Surface Area 292.88 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4-chlorobenzyl)-[5-(2-furyl)-1h-1,2,4-triazol-3-yl]amine
  • n-[(4-chlorophenyl)methyl]-5-(2-furyl)-1h-1,2,4-triazol-3-amine
InChIKey IRHUOSKJHRHZKH-UHFFFAOYSA-N
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Elements H C N O Cl