Geometry & MOs

Info

ID:

7204

PubChem CID:

71517

Reduced:

NO2C18H38 (1)

Stoich.:

AB2C18D38 (1)

Weight, g/mol:

300.290254

ΔHf, kcal/mol:

-130.21

Dipole, Da:

4.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755998

Charge, e:

 1

Chem-info

IUPAC name:

dodecyl-(2-ethoxy-2-oxoethyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC

DOS

IR

Vibrations