Geometry & MOs

Info

ID:

181883

PubChem CID:

76809773

Reduced:

PtN4H5C11 (1)

Stoich.:

AB4C5D11 (1)

Weight, g/mol:

162.090546

ΔHf, kcal/mol:

258.2

Dipole, Da:

1.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.508042

Charge, e:

 0

Chem-info

IUPAC name:

3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),7,10-triene

Drug info:

PubChemData

Smile

[C-]#[N+]C1=C2C=CN3C=NN=C3C2=[C-]C=C1.[Pt]

DOS

IR

Vibrations