4-[4-(Adamantan-2-Ylcarbamoyl)-5-(2-Methyl-2-Propanyl)-1H-Pyrazol-1-Yl]Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H31N3O3 |
| IUPAC Name | 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-ium-4-id-1-yl]benzoic acid |
| Molecular Mass | 421.532 g·mol−1 |
| Heat of Formation | -426.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.86 ± 1.08 D |
| Volume | 513.18 Å 3 |
| Surface Area | 414.3 Å 2 |
| HOMO Energy | -9.34 ± 0.55 eV |
| LUMO Energy | 1.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XWBXJBSVYVJAMZ-RCQAVAAASA-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 |