Geometry & MOs

Info

ID:	294683
PubChem CID:	117481025
Reduced:	ClF3O4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	298.021971
ΔH_f, kcal/mol:	-327.43
Dipole, Da:	3.44
IP(EA), eV:	-10.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=C(C=C1Cl)C(F)(F)F)O)O

DOS

IR

Vibrations