3-(3-Bromobenzyl)-1-(2-Methyl-2-Propanyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C16H18BrN5
IUPAC Name 3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-1-ium-7a-ylium-4-amine
Molecular Mass 360.252 g·mol−1
Heat of Formation 303.1 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 379.49 Å 3
Surface Area 324.57 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey FTICVONBLRGQJW-UHFFFAOYSA-N
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Elements H C Br N