Geometry & MOs

Info

ID:

125084

PubChem CID:

50909565

Reduced:

CuN2O3C27H32 (1)

Stoich.:

AB2C3D27E32 (1)

Weight, g/mol:

367.059182

ΔHf, kcal/mol:

126.08

Dipole, Da:

9.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.947705

Charge, e:

 6

Chem-info

IUPAC name:

cobalt(2+);(3-methoxy-2-oxoniophenyl)methylideneoxidanium

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC(C)C1=CC(=C(C(=C1)C(=O)[OH2+])[OH2+])C(C)C.[Cu+2]

DOS

IR

Vibrations