Geometry & MOs

Info

ID:	52347
PubChem CID:	12015183
Reduced:	ClNO4C17H30 (1)
Stoich.:	ABC4D17E30 (1)
Weight, g/mol:	248.237825
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	27.35
IP(EA), eV:	-10.59(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,4-dimethyl-2,6-dipentylpyridin-1-ium

Drug info:

PubChemData

Smile

CCCCCC1=CC(=CC(=[N+]1C)CCCCC)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations