Formula |
C25H24ClF3N4O2 |
IUPAC Name |
(1e,3r)-7-chloro-10-hydroxy-1-(4-methylpiperazin-1-yl)imino-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2h-acridin-9-one |
Molecular Mass |
504.932 g·mol−1 |
Heat of Formation |
3021.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.42 ± 1.08 D |
Volume |
481.54 Å 3 |
Surface Area |
419.45 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
-3.19 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LCSVLLNHKVUURU-YFMMNMFTSA-N |
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Elements |
N
F
C
O
Cl
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