Formula |
C21H22N6O3 |
IUPAC Name |
n-(3-acetamidophenyl)-3-[(2e)-2-[(4-methoxyphenyl)methylene]hydrazino]-5-methyl-1h-pyrazole-4-carboxamide |
Molecular Mass |
406.438 g·mol−1 |
Heat of Formation |
-64.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.53 ± 1.08 D |
Volume |
474.57 Å 3 |
Surface Area |
437.72 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
2.42 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NIZPETVEBKMXKW-WSDLNYQXSA-N |
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Elements |
H
C
O
N
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