4-[(4-Chlorophenyl)(Methyl)Amino]-1-{4-[4-(4-{[4-(Dimethylamino)-1-Pyridiniumyl]Methyl}Phenyl)Butyl]Benzyl}Pyridinium

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Properties Simple | Detailed

Formula C37H41ClN4++
IUPAC Name 1-[[4-[4-[4-[[4-(4-chloro-n-methyl-anilino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]-n,n-dimethyl-pyridin-1-ium-4-amine
Molecular Mass 577.201 g·mol−1
Heat of Formation 874.1 ± 16.7 kJ·mol−1
Dipole Moment 9.79 ± 1.08 D
Volume 731.71 Å 3
Surface Area 634.49 Å 2
HOMO Energy -2.81 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
InChIKey YOFBQJDVODUYIM-UHFFFAOYSA-N
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Elements H C N Cl