Formula |
C20H19N3O3 |
IUPAC Name |
methyl 1-[(e)-n-(4-methoxyphenyl)-c-phenyl-carbonimidoyl]-5-methyl-pyrazol-1-ium-2-ide-3-carboxylate |
Molecular Mass |
349.383 g·mol−1 |
Heat of Formation |
-20.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.21 ± 1.08 D |
Volume |
414.65 Å 3 |
Surface Area |
370.52 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
2.20 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RIFZRGGEQMMLFO-XUTLUUPISA-N |
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Links |
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Elements |
H
C
O
N
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