2-Amino-6-Bromo-4-Oxo-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C7H4BrN5O |
IUPAC Name | 2-amino-6-bromo-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-1,2,4a,5,6,7a-hexaide-5-carbonitrile |
Molecular Mass | 254.044 g·mol−1 |
Heat of Formation | 236.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.10 ± 1.08 D |
Volume | 219.78 Å 3 |
Surface Area | 213.7 Å 2 |
HOMO Energy | -9.34 ± 0.55 eV |
LUMO Energy | 2.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZIMIZZXLWCGECW-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 Br N |