Geometry & MOs

Info

ID:	59151
PubChem CID:	24771299
Reduced:	ClO2F3H14C21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	390.063442
ΔH_f, kcal/mol:	-193.35
Dipole, Da:	6.22
IP(EA), eV:	-9.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC(=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)Cl)CC(=O)O

DOS

IR

Vibrations