Geometry & MOs

Info

ID:

394915

PubChem CID:

135024148

Reduced:

CoO3N4C45H49 (1)

Stoich.:

AB3C4D45E49 (1)

Weight, g/mol:

638.398462

ΔHf, kcal/mol:

-122.65

Dipole, Da:

39.49

IP(EA), eV:

 -8.53(-3.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-bis[3,5-dimethyl-2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2[CH-]N(C=C2)C3=C(C=C(C=C3CC(=O)[CH-]C4=CC(=CC(=C4N5[CH-]N(C=C5)C6=C(C=C(C=C6C)C)C)C)C)C)C)C.[CH-]=O.[CH-]=O.[Co]

DOS

IR

Vibrations