Geometry & MOs

Info

ID:	263495
PubChem CID:	103372219
Reduced:	Cl2F3O3H7C10 (1)
Stoich.:	A2B3C3D7E10 (1)
Weight, g/mol:	226.081679
ΔH_f, kcal/mol:	-277.15
Dipole, Da:	2.56
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-(3-methylbut-3-enoxymethyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)OCC(C(=O)O)C(F)(F)F)Cl

DOS

IR

Vibrations