Geometry & MOs

Info

ID:	125363
PubChem CID:	50921099
Reduced:	CuN9C44H47 (1)
Stoich.:	AB9C44D47 (1)
Weight, g/mol:	335.911366
ΔH_f, kcal/mol:	315.44
Dipole, Da:	5.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.930689
Charge, e:	0

Chem-info

IUPAC name:

copper;2-azanidylethylazanide;copper;sulfuric acid;trihydrate

Drug info:

PubChemData

Smile

CC#N.C1CN(CCN(CCCN(CCN(C1)CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)C#N)CC5=CC=C(C=C5)C#N.[Cu+2]

DOS

IR

Vibrations