Geometry & MOs

Info

ID:

178306

PubChem CID:

76310018

Reduced:

N2C20H45 (1)

Stoich.:

A2B20C45 (1)

Weight, g/mol:

726.48243

ΔHf, kcal/mol:

-40.71

Dipole, Da:

1.48

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.750767

Charge, e:

0

Chem-info

IUPAC name:

dodecyl-[2-[icosyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;dibromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[N+](C)(C)CCN(C)C

DOS

IR

Vibrations