Geometry & MOs

Info

ID:	49039
PubChem CID:	11528643
Reduced:	ClON3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	220.034729
ΔH_f, kcal/mol:	47.85
Dipole, Da:	7.2
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,2-trifluoroethoxy)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NC(=C(O2)N)C#N

DOS

IR

Vibrations