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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Elements |
H
C
O
N
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