Geometry & MOs

Info

ID:	143566
PubChem CID:	53228167
Reduced:	ClF3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	290.034586
ΔH_f, kcal/mol:	-254.78
Dipole, Da:	8.15
IP(EA), eV:	-9.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carboxy-4-chlorophenyl)-6-methylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations