Geometry & MOs

Info

ID:	43142
PubChem CID:	10318909
Reduced:	NO5C8H11 (2)
Stoich.:	AB5C8D11 (2)
Weight, g/mol:	402.1532
ΔH_f, kcal/mol:	-446.84
Dipole, Da:	3.45
IP(EA), eV:	-10.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrrolidin-2-yl)-1-octylpyridin-1-ium;iodide

Drug info:

PubChemData

Smile

CC(=O)OCC(COC(=O)C)O[C@H]([C@@H](CO)OC(=O)C)N1C=CC(=O)NC1=O

DOS

IR

Vibrations