Geometry & MOs

Info

ID:	580
PubChem CID:	3030
Reduced:	Cl2O3H6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	219.969399
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	5.23
IP(EA), eV:	-9.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C(=O)O)Cl)Cl

DOS

IR

Vibrations