1-(2-Chlorophenyl)-6-[(2R)-3,3,3-Trifluoro-2-Methyl-Propyl]Pyrazolo[3,4-D]Pyrimidine-1,2,5,7-Tetraium-4-One

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Formula C15H14ClF3N4O
IUPAC Name 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methyl-propyl]pyrazolo[3,4-d]pyrimidine-1,2,5,7-tetraium-4-one
Molecular Mass 358.746 g·mol−1
Heat of Formation -437.3 ± 16.7 kJ·mol−1
Dipole Moment 10.45 ± 1.08 D
Volume 371.76 Å 3
Surface Area 324.19 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry C1
InChIKey PITISNYPTFAJLP-PVIHBSMPSA-O
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Elements C F H Cl O N