Geometry & MOs

Info

ID:

232669

PubChem CID:

87576680

Reduced:

MnO2C8H20 (1)

Stoich.:

AB2C8D20 (1)

Weight, g/mol:

293.05724

ΔHf, kcal/mol:

-70.9

Dipole, Da:

3.23

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.952464

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCO.CCCCO.[Mn]

DOS

IR

Vibrations