6-{[(3R,4R)-4-(2-{[2-(2-Chlorophenyl)-2,2-Difluoroethyl]Amino}Ethoxy)-3-Pyrrolidinyl]Methyl}-4-Methyl-2-Pyridinamine

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Formula C21H27ClF2N4O
IUPAC Name 6-[[(3r,4r)-4-[2-[[2-(2-chlorophenyl)-2,2-difluoro-ethyl]amino]ethoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine
Molecular Mass 424.915 g·mol−1
Heat of Formation -483.7 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 499.44 Å 3
Surface Area 421.81 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey JVSYUOBMDVYGPZ-BEFAXECRSA-N
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Elements C Cl H F O N