7-({3-Fluoro-5-[(1S,3S,5R)-3-Hydroxy-6,8-Dioxabicyclo[3.2.1]Oct-3-Yl]Phenoxy}Methyl)-4-(3-Furyl)-2-Quinolinecarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C27H21FN2O5 |
| IUPAC Name | 7-[[3-fluoro-5-[(1s,3s,5r)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]phenoxy]methyl]-4-(3-furyl)quinoline-2-carbonitrile |
| Molecular Mass | 472.464 g·mol−1 |
| Heat of Formation | -465.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.31 ± 1.08 D |
| Volume | 523.2 Å 3 |
| Surface Area | 457.12 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -1.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GZOVJNIKHQXVIU-FDJWOJMMSA-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 |