Formula |
C20H17Cl2N9O2 |
IUPAC Name |
n6-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]-3-nitro-pyridine-2,6-diamine |
Molecular Mass |
486.314 g·mol−1 |
Heat of Formation |
425.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.86 ± 1.08 D |
Volume |
521.23 Å 3 |
Surface Area |
448.01 Å 2 |
HOMO Energy |
-9.34 ± 0.55 eV |
LUMO Energy |
0.70 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MDZCSIDIPDZWKL-UHFFFAOYSA-N |
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Elements |
H
C
N
O
Cl
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