2-(3-Bromophenoxy)-4-{(1R)-3,3-Dimethyl-1-[(3S)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-1-Piperidinyl]Butyl}Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H34BrN3O5 |
| IUPAC Name | 2-(3-bromophenoxy)-4-[(1r)-3,3-dimethyl-1-[(1r,3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-1-piperidyl]butyl]benzoic acid |
| Molecular Mass | 584.501 g·mol−1 |
| Heat of Formation | -773.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.49 ± 1.08 D |
| Volume | 644.22 Å 3 |
| Surface Area | 475.05 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SXYGLXXKMZTVNB-XUZZJYLKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Br O N |