Geometry & MOs

Info

ID:

125706

PubChem CID:

50934773

Reduced:

CoMn2N2C10O13H30 (1)

Stoich.:

AB2C2D10E13F30 (1)

Weight, g/mol:

1275.055608

ΔHf, kcal/mol:

-652.15

Dipole, Da:

11.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.777974

Charge, e:

 4

Chem-info

IUPAC name:

2-aminoethane-1,1-diol;2-[2-[bis(2,2-dihydroxyethyl)amino]ethyl-(2,2-dihydroxyethyl)amino]ethane-1,1-diol;2-[2-[bis(2,2-dihydroxyethyl)amino]ethyl-methylamino]ethane-1,1-diol;cadmium;cadmium(2+);manganese;methanol;nonahydrate

Drug info:

PubChemData

Smile

C(CN(CC(O)O)CC(=O)O)N(CC(O)O)CC(=O)O.O.O.O.O.O.[Mn].[Mn].[Co+2]

DOS

IR

Vibrations