Geometry & MOs

Info

ID:	24686
PubChem CID:	612199
Reduced:	ClO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	216.018936
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	6.14
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2,6-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)OC)C(=O)O

DOS

IR

Vibrations