N-{(3S)-1-[6-Chloro-2-(1,3-Dimethyl-1H-Pyrazol-4-Yl)-1H-Imidazo[4,5-B]Pyridin-7-Yl]-3-Pyrrolidinyl}Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C17H20ClN7O |
| IUPAC Name | n-[(1s,3s)-1-[6-chloro-2-(2,5-dimethyl-3h-pyrazol-2-ium-3-ylium-4-yl)imidazo[4,5-b]pyridin-3-ium-6-id-7-yl]pyrrolidin-3-yl]acetamide |
| Molecular Mass | 373.840 g·mol−1 |
| Heat of Formation | 185.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.88 ± 1.08 D |
| Volume | 425.17 Å 3 |
| Surface Area | 375.92 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | 2.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XDTMWNUVKUHOQV-NSHDSACASA-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 |