Ruxolitinib

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Properties Simple | Detailed

Formula C17H18N6
IUPAC Name (3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Molecular Mass 306.365 g·mol−1
Heat of Formation 492.1 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 374.14 Å 3
Surface Area 332.08 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
InChIKey HFNKQEVNSGCOJV-OAHLLOKOSA-N
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Elements H C N