3-(4-Methoxy-3-Methyl-Phenyl)-1-(4-Piperidylmethyl)Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C19H24N6O
IUPAC Name 3-(4-methoxy-3-methyl-phenyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-1-ium-4-amine
Molecular Mass 352.433 g·mol−1
Heat of Formation 181.3 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 426.94 Å 3
Surface Area 373.05 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey MQULVMDBNSSIMR-UHFFFAOYSA-N
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