2-Amino-6-(1,3-Benzodioxol-5-Yl)-4-Oxo-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C14H9N5O3 |
| IUPAC Name | 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Molecular Mass | 295.253 g·mol−1 |
| Heat of Formation | 51.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.34 ± 1.08 D |
| Volume | 315.71 Å 3 |
| Surface Area | 292.58 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | 2.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LODZVZHIOMSXPI-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 |