Ruxolitinib

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Properties Simple | Detailed

Formula C17H19N6
IUPAC Name (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-4-yl)pyrazol-1-ium-4-id-1-yl]propanenitrile
Molecular Mass 307.373 g·mol−1
Heat of Formation 492.1 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 374.15 Å 3
Surface Area 332.1 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
InChIKey HFNKQEVNSGCOJV-OAHLLOKOSA-N
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Elements H C N