Geometry & MOs

Info

ID:	335848
PubChem CID:	127254710
Reduced:	ClN4O6C21H21 (1)
Stoich.:	AB4C6D21E21 (1)
Weight, g/mol:	392.161518
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	6.83
IP(EA), eV:	-9.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations