3-Chloro-5-({6-[2-(3,4-Dihydro-2(1H)-Isoquinolinyl)-2-Oxoethyl]-3-(Dimethylamino)-2-Oxo-1,2-Dihydro-4-Pyridinyl}Oxy)Benzonitrile

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Properties Simple | Detailed

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