Geometry & MOs

Info

ID:	17581
PubChem CID:	506262
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	3.86
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-aminobenzoyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)N)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

DOS

IR

Vibrations