Pf-00446687

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Properties Simple | Detailed

Formula C28H36F2N2O2
IUPAC Name [(1s,3s,4r)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3s,5r)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidyl]methanone
Molecular Mass 470.594 g·mol−1
Heat of Formation -715.3 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 587.03 Å 3
Surface Area 438.16 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey WHPJOAUPIZDJNX-AGGGUQDCSA-N
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Elements H C N O F