3-[3-(5-Ethoxy-6-Fluoro-1H-Benzimidazol-2-Yl)-1H-Pyrazol-4-Yl]-1,1-Diethylurea
Properties
Property | Value |
---|---|
Formula | C17H21FN6O2 |
IUPAC Name | 3-[5-(5-ethoxy-6-fluoro-benzimidazol-2-yl)pyrazol-1-ium-4-ylium-4-yl]-1,1-diethyl-urea |
Molecular Mass | 360.386 g·mol−1 |
Heat of Formation | -208.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.43 ± 1.08 D |
Volume | 424.11 Å 3 |
Surface Area | 376.99 Å 2 |
HOMO Energy | -8.37 ± 0.55 eV |
LUMO Energy | 2.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | UJXIKUVGGQECLJ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C N O F |