Geometry & MOs

Info

ID:

14674

PubChem CID:

417294

Reduced:

ClNO2C10H13 (1)

Stoich.:

ABC2D10E13 (1)

Weight, g/mol:

214.063481

ΔHf, kcal/mol:

-73.54

Dipole, Da:

1.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.963912

Charge, e:

 1

Chem-info

IUPAC name:

ethyl 1-(2-chloroethyl)pyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[N+](=CC=C1)CCCl

DOS

IR

Vibrations