6-(2,4-Difluorophenoxy)-3-(2-Methylphenyl)-1H-Pyrazolo[3,4-D]Pyrimidine

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Formula C18H13F2N4O
IUPAC Name 6-(2,4-difluorophenoxy)-3-(o-tolyl)-1h-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-ide
Molecular Mass 339.319 g·mol−1
Heat of Formation 4.9 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 369.19 Å 3
Surface Area 333.8 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey MWRHZZFHXSJLGY-UHFFFAOYSA-O
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