Methyl 3-Cyclopentyl-1,6-Dimethyl-4-(3-Nitrophenyl)-2,4-Dihydro-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C21H24N4O4 |
| IUPAC Name | methyl (4r)-3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-4h-pyrazolo[3,4-b]pyridine-1,2,7-triium-5-ide-5-carboxylate |
| Molecular Mass | 396.440 g·mol−1 |
| Heat of Formation | -96.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.92 ± 1.08 D |
| Volume | 470.36 Å 3 |
| Surface Area | 379.84 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | 1.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UAXYSZUIYWEWRR-QGZVFWFLSA-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 |