Geometry & MOs

Info

ID:	2813
PubChem CID:	8630
Reduced:	NCl2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	204.969734
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	6.02
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2,5-dichlorobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl

DOS

IR

Vibrations