Geometry & MOs

Info

ID:

14839

PubChem CID:

422259

Reduced:

ClO2N3H13C14 (1)

Stoich.:

AB2C3D13E14 (1)

Weight, g/mol:

290.069629

ΔHf, kcal/mol:

-32.26

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.954033

Charge, e:

 1

Chem-info

IUPAC name:

1-[2-(4-chloroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Cl)C(=O)N

DOS

IR

Vibrations