Geometry & MOs

Info

ID:

14250

PubChem CID:

407240

Reduced:

NO2C20H40 (1)

Stoich.:

AB2C20D40 (1)

Weight, g/mol:

326.305905

ΔHf, kcal/mol:

-135.27

Dipole, Da:

4.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755489

Charge, e:

 1

Chem-info

IUPAC name:

dodecyl 2-(1-methylpiperidin-1-ium-1-yl)acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C

DOS

IR

Vibrations