3-{[(2R)-1-(Dimethylamino)-2-Propanyl]Oxy}-5-{[4-Methoxy-5-(1-Methyl-1H-Pyrazol-4-Yl)-2-Pyridinyl]Amino}-2-Pyrazinecarbonitrile

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Properties Simple | Detailed

Formula C20H24N8O2
IUPAC Name 3-[(1r)-2-(dimethylamino)-1-methyl-ethoxy]-5-[[4-methoxy-5-(1-methylpyrazol-1-ium-2-id-4-yl)-2-pyridyl]amino]pyrazine-2-carbonitrile
Molecular Mass 408.457 g·mol−1
Heat of Formation 269.0 ± 16.7 kJ·mol−1
Dipole Moment 9.83 ± 1.08 D
Volume 489.63 Å 3
Surface Area 437.24 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey IENLGMOXAQMNEH-CYBMUJFWSA-N
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