6-{[2-({2-[(5R)-5-Cyano-4,5-Dihydro-1H-Pyrazol-1-Yl]-2-Oxoethyl}Amino)Ethyl]Amino}Nicotinonitrile

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Formula C14H15N7O
IUPAC Name 6-[2-[[2-[(3r)-3-cyano-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]amino]ethylamino]pyridine-3-carbonitrile
Molecular Mass 297.315 g·mol−1
Heat of Formation 397.9 ± 16.7 kJ·mol−1
Dipole Moment 9.53 ± 1.08 D
Volume 358.18 Å 3
Surface Area 337.88 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey XNYVGGJJENHRBZ-GFCCVEGCSA-N
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