N-Cyclopropyl-3-[[1-(2,4-Difluorophenyl)-7-Methyl-6-Oxo-Pyrazolo[3,4-B]Pyridin-1-Ium-3A-Id-4-Yl]Amino]-4-Methyl-Benzamide

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Properties Simple | Detailed

Formula C24H27F2N5O2
IUPAC Name n-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxo-pyrazolo[3,4-b]pyridin-1-ium-3a-id-4-yl]amino]-4-methyl-benzamide
Molecular Mass 455.500 g·mol−1
Heat of Formation -180.5 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 516.06 Å 3
Surface Area 431.75 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey WMDSHEIFNWBCCU-UHFFFAOYSA-P
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