Geometry & MOs

Info

ID:

47131

PubChem CID:

10529798

Reduced:

CoN2Cl3O3C21H23 (1)

Stoich.:

AB2C3D3E21F23 (1)

Weight, g/mol:

514.256668

ΔHf, kcal/mol:

-110.04

Dipole, Da:

23.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.045429

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=CCC(CN/C=C\1/C=CC=CC1=O)N/C=C\2/C=CC=CC2=O.C(C(Cl)(Cl)Cl)O.[Co]

DOS

IR

Vibrations