3-[(3-Bromophenyl)Methyl]-1-Tert-Butyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

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Formula C16H19BrN5
IUPAC Name 3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 361.260 g·mol−1
Heat of Formation 303.1 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 379.44 Å 3
Surface Area 324.5 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey PUIUMKKRMKMYBC-UHFFFAOYSA-O
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Elements H C Br N