Geometry & MOs

Info

ID:

17019

PubChem CID:

482311

Reduced:

CoN4O6C24H28 (1)

Stoich.:

AB4C6D24E28 (1)

Weight, g/mol:

527.134078

ΔHf, kcal/mol:

28.49

Dipole, Da:

7.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.118065

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-6-[2-[(3-tert-butyl-5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenolate;cobalt(2+)

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1[O-])C=NCCN=CC2=C(C(=CC(=C2)[N+](=O)[O-])C(C)(C)C)[O-])[N+](=O)[O-].[Co+2]

DOS

IR

Vibrations