Geometry & MOs

Info

ID:

412011

PubChem CID:

135084874

Reduced:

CoN2O2Si2C34H54 (1)

Stoich.:

AB2C2D2E34F54 (1)

Weight, g/mol:

598.359034

ΔHf, kcal/mol:

-121.46

Dipole, Da:

43.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.984305

Charge, e:

 3

Chem-info

IUPAC name:

chromium(3+);(6Z)-2,4-ditert-butyl-6-[[[(1R,2R)-2-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)[Si](C)(C)C)/C(=O)C(=C1)[Si](C)(C)C)(C)C.[Co+3]

DOS

IR

Vibrations