Geometry & MOs

Info

ID:

125372

PubChem CID:

50921351

Reduced:

PtC4Cl4H4N4O4 (1)

Stoich.:

AB4C4D4E4F4 (1)

Weight, g/mol:

791.370918

ΔHf, kcal/mol:

123.15

Dipole, Da:

6.33

IP(EA), eV:

-9.15(-2.37)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[5-[5-[(3,4-diethyl-5-methylpyrrol-2-ylidene)-(4-nitrophenyl)methyl]-3,4-diethylpyrrol-1-id-2-yl]-3,4-diethylpyrrol-1-id-2-yl]-phenylmethylidene]-3,4-diethyl-5-methylpyrrole;nickel(2+)

Drug info:

PubChemData

Smile

C(=C(N=O)Cl)(NO)Cl.C(=C(N=O)Cl)(NO)Cl.[Pt]

DOS

IR

Vibrations