Geometry & MOs

Info

ID:	21804
PubChem CID:	591038
Reduced:	FOH3C5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	294.050379
ΔH_f, kcal/mol:	-222.4
Dipole, Da:	6.76
IP(EA), eV:	-10.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(trifluoromethyl)benzoyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations