5-Chlor-1,3-Dimethyl-N-(1,1,3-Trimethyl-1,3-Dihydro-2-Benzofur-4-Yl)-1H-Pyrazol-4-Carboxamid
Properties
| Property | Value |
|---|---|
| Formula | C17H20ClN3O2 |
| IUPAC Name | 5-chloro-1,3-dimethyl-n-[(3r)-1,1,3-trimethyl-3h-isobenzofuran-4-yl]pyrazol-1-ium-2-ide-4-carboxamide |
| Molecular Mass | 333.813 g·mol−1 |
| Heat of Formation | -196.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.32 ± 1.08 D |
| Volume | 392.89 Å 3 |
| Surface Area | 337.5 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NRTLIYOWLVMQBO-SNVBAGLBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |