3-({4-[1-(2,2-Difluoroethyl)-3-(1H-Pyrrolo[2,3-B]Pyridin-5-Yl)-1H-Pyrazol-4-Yl]-2-Pyrimidinyl}Amino)Propanenitrile

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Formula C19H16F2N8
IUPAC Name 3-[[4-[1-(2,2-difluoroethyl)-3-pyrrolo[2,3-b]pyridin-1-ium-5-yl-pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile
Molecular Mass 394.381 g·mol−1
Heat of Formation 259.7 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 438.65 Å 3
Surface Area 362.05 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey HFYMVDKBZONUOJ-UHFFFAOYSA-N
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Elements H C N F