Geometry & MOs

Info

ID:	294560
PubChem CID:	117470386
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	3.05
IP(EA), eV:	-9.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[4-(2,3-dioxopiperazin-1-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2)F)C(CCC(=O)O)N)F

DOS

IR

Vibrations