Geometry & MOs

Info

ID:	10872
PubChem CID:	108633
Reduced:	NNaO3C9H16 (2)
Stoich.:	ABC3D9E16 (2)
Weight, g/mol:	418.205575
ΔH_f, kcal/mol:	-343.35
Dipole, Da:	11.84
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[1-[2-(carboxylatomethoxy)ethyl]-2-nonyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide

Drug info:

PubChemData

Smile

CCCCCCCCCC1=NCC[N+]1(CCOCC(=O)[O-])CC(=O)[O-].[OH-].[Na+].[Na+]

DOS

IR

Vibrations