5-{(E)-[5-(4-Bromophenyl)-6-Hydroxy-3,6-Dihydro-2H-1,3,4-Oxadiazin-2-Ylidene]Methyl}-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
Formula | C14H11BrN4O4 |
IUPAC Name | 5-[(e)-[(6r)-5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]-1h-pyrimidine-2,4-dione |
Molecular Mass | 379.166 g·mol−1 |
Heat of Formation | -341.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.49 ± 1.08 D |
Volume | 357.6 Å 3 |
Surface Area | 325.33 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | -1.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | RGPBQGGBWIMGMA-ZQNFCJTASA-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 |