Geometry & MOs

Info

ID:	403211
PubChem CID:	135059190
Reduced:	ClO2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	294.086764
ΔH_f, kcal/mol:	-43.67
Dipole, Da:	3.55
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(O)Cl

DOS

IR

Vibrations