3-(3-Ethylphenyl)-5-(3-Methoxyphenyl)-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C17H17N3O
IUPAC Name 3-(3-ethylphenyl)-5-(3-methoxyphenyl)-1h-1,2,4-triazole
Molecular Mass 279.336 g·mol−1
Heat of Formation 200.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 341.28 Å 3
Surface Area 320.98 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey DWTVNGGZIMDBNB-UHFFFAOYSA-N
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