Formula |
C26H29Cl2N5O3 |
IUPAC Name |
4-(3,5-dichloro-4-methoxy-anilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile |
Molecular Mass |
530.446 g·mol−1 |
Heat of Formation |
-83.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.94 ± 1.08 D |
Volume |
612.33 Å 3 |
Surface Area |
513.89 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
-1.41 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YCLIWTLPTXAGPQ-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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