Geometry & MOs

Info

ID:	293906
PubChem CID:	117414504
Reduced:	F3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	264.060943
ΔH_f, kcal/mol:	-304.59
Dipole, Da:	4.04
IP(EA), eV:	-9.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,5-dihydroxy-2-(trifluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations