2-[3-[[4-Bromo-5-(1-Fluorovinyl)-3-Methyl-2-Thienyl]Methylamino]Propylamino]-1,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-One
Properties
| Property | Value |
|---|---|
| Formula | C20H30BrFN3OS+ |
| IUPAC Name | (2s,4as,8as)-2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-4-one |
| Molecular Mass | 459.439 g·mol−1 |
| Heat of Formation | -73.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.46 ± 1.08 D |
| Volume | 473.76 Å 3 |
| Surface Area | 375.78 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 1.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HLRPQTYATOCUBC-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S Br |