Formula |
C22H18Cl2N8 |
IUPAC Name |
6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1h-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile |
Molecular Mass |
465.338 g·mol−1 |
Heat of Formation |
534.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.29 ± 1.08 D |
Volume |
520.93 Å 3 |
Surface Area |
450.53 Å 2 |
HOMO Energy |
-9.00 ± 0.55 eV |
LUMO Energy |
-0.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AQGNHMOJWBZFQQ-UHFFFAOYSA-N |
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Elements |
H
C
N
Cl
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