1-[3-[(4-Amino-1-Cyclopentyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl)Methyl]Phenyl]-3-[3-(Trifluoromethyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C25H25F3N7O
IUPAC Name 1-[3-[(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular Mass 496.508 g·mol−1
Heat of Formation -410.1 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 552.87 Å 3
Surface Area 481.85 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey HMEHXARNCXBPMB-UHFFFAOYSA-O
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