Geometry & MOs

Info

ID:

1243

PubChem CID:

4036

Reduced:

NCl2O2H10C14 (1)

Stoich.:

AB2C2D10E14 (1)

Weight, g/mol:

294.008859

ΔHf, kcal/mol:

-32.85

Dipole, Da:

8.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.503718

Charge, e:

 -1

Chem-info

IUPAC name:

2-(2,6-dichloro-3-methylanilino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl

DOS

IR

Vibrations