[3-(4-{[1-(Dimethylamino)-2-Propanyl]Oxy}Phenyl)-1H-Pyrazolo[3,4-B]Pyridin-1-Yl]Acetic Acid

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Formula C19H22N4O3
IUPAC Name 2-[3-[4-[(1s)-2-(dimethylamino)-1-methyl-ethoxy]phenyl]pyrazolo[3,4-b]pyridin-1-ium-2-id-1-yl]acetic acid
Molecular Mass 354.403 g·mol−1
Heat of Formation -158.5 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 430.6 Å 3
Surface Area 378.36 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey DYLPVOLNSXUKPG-ZDUSSCGKSA-N
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