3-{[(4-{[(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)Methyl]Amino}Butyl)Amino]Methyl}Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H22N4O4 |
| IUPAC Name | 3-[[4-[(2,6-dioxo-5h-pyrimidin-3-ium-5-id-4-yl)methylamino]butylamino]methyl]benzoic acid |
| Molecular Mass | 346.381 g·mol−1 |
| Heat of Formation | -601.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.21 ± 1.08 D |
| Volume | 416.49 Å 3 |
| Surface Area | 394.9 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PLKKHOGCWCJFJX-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |