Geometry & MOs

Info

ID:	395822
PubChem CID:	135026647
Reduced:	OSiC20H26 (1)
Stoich.:	ABC20D26 (1)
Weight, g/mol:	497.353189
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	2.94
IP(EA), eV:	-9.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(S)-[(1R)-1-[(3,5-ditert-butylphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CCC[C@H]1C[C@@H](C=C1)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations