Geometry & MOs

Info

ID:	174980
PubChem CID:	75841524
Reduced:	NS2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	369.278013
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	3.63
IP(EA), eV:	-8.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[1-[1-(6-ethyl-4-methylquinolin-1-ium-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

DOS

IR

Vibrations