Geometry & MOs

Info

ID:

125373

PubChem CID:

50921415

Reduced:

NiO2N5C48H55 (1)

Stoich.:

AB2C5D48E55 (1)

Weight, g/mol:

964.435497

ΔHf, kcal/mol:

208.57

Dipole, Da:

7.97

IP(EA), eV:

 -6.95(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt(2+);N-[14-(hydroxyamino)-8-methanidyl-3,13-dinitrosopentadeca-2,13-dien-2-yl]hydroxylamine;piperidin-1-ide;2H-pyridin-1-ide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C2=CC=CC=C2)C3=C(C(=C([N-]3)C4=C(C(=C([N-]4)C(=C5C(=C(C(=N5)C)CC)CC)C6=CC=C(C=C6)[N+](=O)[O-])CC)CC)CC)CC)N=C1C)CC.[Ni+2]

DOS

IR

Vibrations