2-[(3S)-3-(2-Pyridinylmethoxy)-1-Pyrrolidinyl]-5-(Trifluoromethyl)Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H17F3N2O3 |
| IUPAC Name | 2-[(3s)-3-(2-pyridylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid |
| Molecular Mass | 366.334 g·mol−1 |
| Heat of Formation | -994.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.06 ± 1.08 D |
| Volume | 403.74 Å 3 |
| Surface Area | 314.33 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | 2.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NBGRERFNOKZQLO-AWEZNQCLSA-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 |