6-{(1S)-1-[6-(1-Methyl-1H-Pyrazol-4-Yl)[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl]Ethyl}Quinoline
Properties
| Property | Value |
|---|---|
| Formula | C20H17N7 |
| IUPAC Name | 6-[(1s)-1-[3-(1-methylpyrazol-4-yl)-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-9-yl]ethyl]quinoline |
| Molecular Mass | 355.396 g·mol−1 |
| Heat of Formation | 783.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.72 ± 1.08 D |
| Volume | 419.0 Å 3 |
| Surface Area | 370.41 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | 0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VQYHPUHKYSSEOB-ZDUSSCGKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |