Geometry & MOs

Info

ID:	294559
PubChem CID:	117470385
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-140.31
Dipole, Da:	4.6
IP(EA), eV:	-9.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[2-fluoro-5-(4-fluorophenyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C=CC(=C2)C(CCC(=O)O)N)F)F

DOS

IR

Vibrations