Geometry & MOs

Info

ID:	227265
PubChem CID:	87560950
Reduced:	CuN3O3C5H9 (1)
Stoich.:	AB3C3D5E9 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754400
Charge, e:	0

Chem-info

IUPAC name:

2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

[CH2-]CC(O)(O)O.C1=[C-]N=NN1.[Cu+2]

DOS

IR

Vibrations