Geometry & MOs

Info

ID:

84603

PubChem CID:

49868438

Reduced:

MnN3O3C8H11 (1)

Stoich.:

AB3C3D8E11 (1)

Weight, g/mol:

262.044486

ΔHf, kcal/mol:

-33.54

Dipole, Da:

3.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.952316

Charge, e:

 0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylbenzene;iron(2+)

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)C1=CC=CC=N1.O.[Mn]

DOS

IR

Vibrations