N-[1-(5-Bromo-2,3-Dimethoxybenzyl)-4-Piperidinyl]-4-Sulfanylbutanamide
Properties
| Property | Value |
|---|---|
| Formula | C18H27BrN2O3S |
| IUPAC Name | n-[1-[(5-bromo-2,3-dimethoxy-phenyl)methyl]-4-piperidyl]-4-sulfanyl-butanamide |
| Molecular Mass | 431.388 g·mol−1 |
| Heat of Formation | -441.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.77 ± 1.08 D |
| Volume | 477.99 Å 3 |
| Surface Area | 414.95 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | 2.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HESMISSJMKCCAV-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N S Br |