1-[2-(2-Furyl)-8-Propyl-9H-[1,2,4]Triazolo[Blah]Pyrazolo[Blah]Pyrimidin-4-Ium-9-Id-5-Yl]-3-(4-Methoxyphenyl)Urea
Properties
Property | Value |
---|---|
Formula | C21H24N8O3+ |
IUPAC Name | 1-[2-(2-furyl)-8-propyl-9h-[1,2,4]triazolo[blah]pyrazolo[blah]pyrimidin-4-ium-9-id-5-yl]-3-(4-methoxyphenyl)urea |
Molecular Mass | 436.467 g·mol−1 |
Heat of Formation | 311.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.23 ± 1.08 D |
Volume | 482.28 Å 3 |
Surface Area | 450.8 Å 2 |
HOMO Energy | -8.44 ± 0.55 eV |
LUMO Energy | 2.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | MWZYEUMURKINTQ-UHFFFAOYSA-O |
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Elements | H C O N |