Formula |
C27H26N8O2 |
IUPAC Name |
n-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide |
Molecular Mass |
494.548 g·mol−1 |
Heat of Formation |
583.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.57 ± 1.08 D |
Volume |
576.63 Å 3 |
Surface Area |
523.55 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
1.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FQGDIYVVDKJSNC-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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