1-Tert-Butyl-3-(4-Chlorophenyl)Pyrazolo[3,4-D]Pyrimidin-2-Ium-4-Amine

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Properties Simple | Detailed

Formula C15H17ClN5+
IUPAC Name 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-2-ium-4-amine
Molecular Mass 302.782 g·mol−1
Heat of Formation 3012.1 ± 16.7 kJ·mol−1
Dipole Moment 8.56 ± 1.08 D
Volume 307.56 Å 3
Surface Area 300.66 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -3.01 ± eV
Point Group Symmetry C1
InChIKey PBBRWFOVCUAONR-UHFFFAOYSA-O
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Elements C Cl N