3-(Trans-4-{2-[(1R)-1-Hydroxyethyl]Imidazo[4,5-D]Pyrrolo[2,3-B]Pyridin-1(6H)-Yl}Cyclohexyl)Propanenitrile

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Formula C19H23N5O
IUPAC Name 3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile
Molecular Mass 337.419 g·mol−1
Heat of Formation 111.6 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 411.03 Å 3
Surface Area 351.59 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey LLRNGFSFYHDPKW-MGPQQGTHSA-N
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