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

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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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