Geometry & MOs

Info

ID:

125694

PubChem CID:

50933856

Reduced:

CuCl2N3C12H21 (1)

Stoich.:

AB2C3D12E21 (1)

Weight, g/mol:

584.274331

ΔHf, kcal/mol:

92.44

Dipole, Da:

6.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.038825

Charge, e:

 -6

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(C[NH2+]C1)CNCC2=CC=CC[N-]2.Cl[Cu]Cl

DOS

IR

Vibrations