Formula |
C28H32Cl2N6 |
IUPAC Name |
7-chloro-n-[(1s)-2-[4-[(2r)-2-[(7-chloro-4-quinolyl)amino]propyl]piperazin-1-yl]-1-methyl-ethyl]quinolin-4-amine |
Molecular Mass |
523.500 g·mol−1 |
Heat of Formation |
3704.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.51 ± 1.08 D |
Volume |
531.1 Å 3 |
Surface Area |
470.07 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
-3.63 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FIERVDLXKNFTPK-BGYRXZFFSA-N |
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Elements |
C
N
Cl
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