Formula |
C24H24N6O |
IUPAC Name |
5-(4-cyano-3-methyl-phenyl)-2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]pyridine-3-carbonitrile |
Molecular Mass |
412.487 g·mol−1 |
Heat of Formation |
453.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.25 ± 1.08 D |
Volume |
505.75 Å 3 |
Surface Area |
449.16 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
0.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
TXALYVIWRLTFFP-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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