5-Chloro-6-{[(2Z)-2-Imino-1-Pyrrolidinyl]Methyl}-2,4(1H,3H)-Pyrimidinedione
Properties
Property | Value |
---|---|
Formula | C9H11ClN4O2 |
IUPAC Name | 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidin-1-ium-5-ide-2,4-dione |
Molecular Mass | 242.662 g·mol−1 |
Heat of Formation | -292.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.21 ± 1.08 D |
Volume | 261.39 Å 3 |
Surface Area | 229.19 Å 2 |
HOMO Energy | -9.68 ± 0.55 eV |
LUMO Energy | 1.88 ± eV |
Point Group Symmetry | C1 |
InChIKey | QQHMKNYGKVVGCZ-WDZFZDKYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |