Geometry & MOs

Info

ID:	294543
PubChem CID:	117468668
Reduced:	BrFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	1.51
IP(EA), eV:	-9.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(2,3-dioxopiperazin-1-yl)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC(CCN)C1=CC(=C(C(=C1)Br)COC)F

DOS

IR

Vibrations