Geometry & MOs

Info

ID:	17582
PubChem CID:	506264
Reduced:	ClO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	410.114568
ΔH_f, kcal/mol:	-50.78
Dipole, Da:	7.32
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations