Geometry & MOs

Info

ID:	335777
PubChem CID:	127254639
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	2.82
IP(EA), eV:	-8.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-(3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations