Geometry & MOs

Info

ID:

400346

PubChem CID:

135047635

Reduced:

MnO3H8C10 (1)

Stoich.:

AB3C8D10 (1)

Weight, g/mol:

413.02239

ΔHf, kcal/mol:

-14.32

Dipole, Da:

2.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.099766

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]

DOS

IR

Vibrations