Geometry & MOs

Info

ID:

14361

PubChem CID:

410153

Reduced:

NO2C25H52 (1)

Stoich.:

AB2C25D52 (1)

Weight, g/mol:

398.399805

ΔHf, kcal/mol:

-152.43

Dipole, Da:

1.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750731

Charge, e:

 1

Chem-info

IUPAC name:

hexadecyl-(6-methoxy-6-oxohexyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)OC

DOS

IR

Vibrations