N-{(1S)-1-(3-Fluorophenyl)-3-[(3-Endo)-3-(5-Isobutyryl-2-Methyl-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-1-Yl)-8-Azabicyclo[3.2.1]Oct-8-Yl]Propyl}Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C29H40FN5O2 |
| IUPAC Name | n-[(1s)-1-(3-fluorophenyl)-3-[(1r,5s)-3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4h-imidazo[4,5-c]pyridin-1-ium-7a-ylium-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide |
| Molecular Mass | 509.659 g·mol−1 |
| Heat of Formation | -513.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.14 ± 1.08 D |
| Volume | 647.2 Å 3 |
| Surface Area | 477.7 Å 2 |
| HOMO Energy | -8.37 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QETUKYDWZIRTEI-QYOOZWMWSA-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 F |