Geometry & MOs

Info

ID:

386144

PubChem CID:

134980895

Reduced:

FeNO3H6C9 (1)

Stoich.:

ABC3D6E9 (1)

Weight, g/mol:

290.024455

ΔHf, kcal/mol:

128.06

Dipole, Da:

2.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.746054

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1C=CC2=C1C=C2.N#[O+].[Fe]

DOS

IR

Vibrations