N-Sec-Butyl-1-[2-(~18~F)Fluoro-5-Nitrophenyl]-N-Methyl-3-Isoquinolinecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C21H20FN3O3 |
| IUPAC Name | 1-(2-fluoro-5-nitro-phenyl)-n-methyl-n-[(1r)-1-methylpropyl]isoquinoline-3-carboxamide |
| Molecular Mass | 381.400 g·mol−1 |
| Heat of Formation | -152.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.58 ± 1.08 D |
| Volume | 447.97 Å 3 |
| Surface Area | 379.65 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | 1.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GXXKDYZSBGOJQN-CYBMUJFWSA-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 |