Geometry & MOs

Info

ID:

229425

PubChem CID:

87567623

Reduced:

CoC3H4O5 (1)

Stoich.:

AB3C4D5 (1)

Weight, g/mol:

293.235479

ΔHf, kcal/mol:

-185.7

Dipole, Da:

7.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768026

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)dodecane-1,3-dione

Drug info:

PubChemData

Smile

C(C(=O)O)(C(=O)O)O.[Co]

DOS

IR

Vibrations