Formula |
C25H23ClN4O3 |
IUPAC Name |
3-chloro-5-[[6-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxo-ethyl]-3-(dimethylamino)-2-oxo-1h-pyridin-4-yl]oxy]benzonitrile |
Molecular Mass |
462.928 g·mol−1 |
Heat of Formation |
-144.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.45 ± 1.08 D |
Volume |
535.63 Å 3 |
Surface Area |
448.09 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CLCCLHPVIUSCJF-UHFFFAOYSA-N |
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Elements |
H
C
N
O
Cl
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