Geometry & MOs

Info

ID:

400344

PubChem CID:

135047633

Reduced:

MnO3C12H14 (1)

Stoich.:

AB3C12D14 (1)

Weight, g/mol:

259.016687

ΔHf, kcal/mol:

-43.74

Dipole, Da:

3.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.097265

Charge, e:

 0

Chem-info

IUPAC name:

carbon monoxide;manganese;1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1CCOC1.C1=CC=CC=C1.[Mn]

DOS

IR

Vibrations