Geometry & MOs

Info

ID:	335843
PubChem CID:	127254705
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	3.8
IP(EA), eV:	-8.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(CCC2=C1)NC(=O)C3=CC(=O)C(=CN3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations