Geometry & MOs

Info

ID:

412235

PubChem CID:

135085119

Reduced:

CrNPO4H26C34 (1)

Stoich.:

ABCD4E26F34 (1)

Weight, g/mol:

607.367373

ΔHf, kcal/mol:

163.79

Dipole, Da:

3.18

IP(EA), eV:

 -6.92(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt;(6Z)-2,4-ditert-butyl-6-[[[3-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2,3-dimethylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)CO[C@@H](C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5.[Cr]

DOS

IR

Vibrations