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

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Formula C15H12ClF3N4O
IUPAC Name 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methyl-propyl]-7h-pyrazolo[3,4-d]pyrimidin-5-ium-4-one
Molecular Mass 356.730 g·mol−1
Heat of Formation -506.0 ± 16.7 kJ·mol−1
Dipole Moment 9.08 ± 1.08 D
Volume 371.28 Å 3
Surface Area 325.35 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
InChIKey JNPSRUPDCZUVQL-MRVPVSSYSA-P
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Elements C Cl H F O N