Geometry & MOs

Info

ID:	261687
PubChem CID:	103245517
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	281.067506
ΔH_f, kcal/mol:	-146.37
Dipole, Da:	6.63
IP(EA), eV:	-8.88(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(4-fluoro-2-methoxyanilino)methyl]propanoic acid

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=C(C=C(C=C1)F)OC)/C(=O)O

DOS

IR

Vibrations