Geometry & MOs

Info

ID:	143564
PubChem CID:	53228146
Reduced:	ClFO3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	306.065887
ΔH_f, kcal/mol:	-143.77
Dipole, Da:	3.64
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C2=C(C=C(C=C2)F)C(=O)O)Cl

DOS

IR

Vibrations