3-[(5Z)-5-{[2-(3,4-Dimethylphenyl)-5-Methyl-3-Oxo-2,3-Dihydro-1H-Pyrazol-4-Yl]Hydrazono}-6-Oxo-1,3-Cyclohexadien-1-Yl]Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H22N4O4 |
| IUPAC Name | 3-[(5z)-5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazole-1,2-diium-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-dien-1-yl]benzoic acid |
| Molecular Mass | 442.467 g·mol−1 |
| Heat of Formation | -114.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.93 ± 1.08 D |
| Volume | 509.23 Å 3 |
| Surface Area | 456.8 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | -1.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TYEXNVNUZXJNBN-QLYXXIJNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |