Geometry & MOs

Info

ID:	294558
PubChem CID:	117470352
Reduced:	NF3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-269.02
Dipole, Da:	3.14
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[4-fluoro-3-(2-fluorophenyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations