1-(2-Chlorophenyl)-6-[(2R)-3,3,3-Trifluoro-2-Methyl-Propyl]-7H-Pyrazolo[3,4-D]Pyrimidin-5-Ium-4-One
Properties
Property | Value |
---|---|
Formula | C15H14ClF3N4O+ |
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 | 358.746 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 |
QR Code | Generate QR Code |
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Elements | C Cl H F O N |