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 |
QR Code |
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Links |
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Elements |
H
C
N
Cl
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