1-{4-[3-(Trifluoromethyl)-6,7-Dihydropyrano[4,3-C]Pyrazol-1(4H)-Yl]Benzyl}-2-Pyrrolidinone

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Formula C18H18F3N3O2
IUPAC Name 1-[[4-[3-(trifluoromethyl)-6,7-dihydro-4h-pyrano[4,3-c]pyrazol-1-ium-3-ylium-1-yl]phenyl]methyl]pyrrolidin-2-one
Molecular Mass 365.350 g·mol−1
Heat of Formation -718.6 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 398.97 Å 3
Surface Area 352.18 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey URIDIEFPWLZYEF-UHFFFAOYSA-N
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