Geometry & MOs

Info

ID:	293240
PubChem CID:	117378259
Reduced:	F3O4H9C10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	250.045293
ΔH_f, kcal/mol:	-288.31
Dipole, Da:	3.28
IP(EA), eV:	-9.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-[2-hydroxy-3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C(=CC(=C1F)F)O)F)O

DOS

IR

Vibrations