3-({[4-Methyl-5-(4-Pyridinyl)-4H-1,2,4-Triazol-3-Yl]Methyl}Amino)-N-[2-(Trifluoromethyl)Benzyl]Benzamide
Properties
Property | Value |
---|---|
Formula | C24H21F3N6O |
IUPAC Name | 3-[[4-methyl-5-(4-pyridyl)-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-3-yl]methylamino]-n-[[2-(trifluoromethyl)phenyl]methyl]benzamide |
Molecular Mass | 466.458 g·mol−1 |
Heat of Formation | -272.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.88 ± 1.08 D |
Volume | 524.92 Å 3 |
Surface Area | 456.48 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 2.08 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | WFOVEDJTASPCIR-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |