Formula |
C37H45Cl2N2O2+ |
IUPAC Name |
1-[(3s)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone |
Molecular Mass |
620.671 g·mol−1 |
Heat of Formation |
5347.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.48 ± 1.08 D |
Volume |
561.04 Å 3 |
Surface Area |
474.05 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
-3.74 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RPDFDSQFBCJTDY-IKVKOMKESA-N |
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Links |
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Downloads |
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Elements |
C
N
O
Cl
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