N-[1-(3-Fluorobenzyl)-1H-Indazol-5-Yl]-5-{(E)-[(2-Methoxyethoxy)Imino]Methyl}-4,6-Pyrimidinediamine

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Formula C22H22FN7O2
IUPAC Name n4-[1-[(3-fluorophenyl)methyl]indazol-1-ium-5-yl]-5-[(e)-2-methoxyethoxyiminomethyl]pyrimidine-4,6-diamine
Molecular Mass 435.454 g·mol−1
Heat of Formation 174.7 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 500.98 Å 3
Surface Area 455.58 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey KSGYKTRNRCPDHT-KVSWJAHQSA-N
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