1-(2-Chlorophenyl)-6-[(2S)-3,3,3-Trifluoro-2-Methyl-Propyl]-3,7-Dihydropyrazolo[3,4-D]Pyrimidine-1,5-Diium-3-Ylium-4-One

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Formula C15H12ClF3N4O
IUPAC Name 1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methyl-propyl]-3,7-dihydropyrazolo[3,4-d]pyrimidine-1,5-diium-3-ylium-4-one
Molecular Mass 356.730 g·mol−1
Heat of Formation -494.0 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 370.74 Å 3
Surface Area 330.51 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey JNPSRUPDCZUVQL-QMMMGPOBSA-P
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Elements C Cl H F O N