Geometry & MOs

Info

ID:	143565
PubChem CID:	53228156
Reduced:	ClO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	344.042706
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	7.82
IP(EA), eV:	-9.13(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-ethoxyphenyl)-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations