1-(2-{(3S)-3-(3,4-Dichlorophenyl)-1-[(3-Isopropoxyphenyl)Acetyl]-3-Piperidinyl}Ethyl)-4-Phenyl-1-Azoniabicyclo[2.2.2]Octane

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Properties Simple | Detailed

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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Elements C N O Cl