Geometry & MOs

Info

ID:	125085
PubChem CID:	50909566
Reduced:	CoO6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	347.039165
ΔH_f, kcal/mol:	-280.75
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018510
Charge, e:	2

Chem-info

IUPAC name:

copper;1,1-dimethyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1[OH2+])C=[OH+].COC1=CC=CC(=C1[OH2+])C=[OH+].[Co+2]

DOS

IR

Vibrations