Geometry & MOs

Info

ID:

180898

PubChem CID:

76701317

Reduced:

NYO2H7C9 (1)

Stoich.:

ABC2D7E9 (1)

Weight, g/mol:

205.96369

ΔHf, kcal/mol:

22.79

Dipole, Da:

12.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.896230

Charge, e:

 -2

Chem-info

IUPAC name:

benzonitrile;carbanide;yttrium

Drug info:

PubChemData

Smile

[CH3-].C1=CC2=C(C=[C-]1)C(=O)C(=O)N2.[Y]

DOS

IR

Vibrations