Geometry & MOs

Info

ID:

383492

PubChem CID:

134975239

Reduced:

MnO4C6H16 (1)

Stoich.:

AB4C6D16 (1)

Weight, g/mol:

286.214409

ΔHf, kcal/mol:

-142.78

Dipole, Da:

4.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.952360

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6S,9S,10S,13Z)-hexadeca-1,13-diene-5,6,9,10-tetrol

Drug info:

PubChemData

Smile

C=CCC[C@H](CO)O.O.O.[Mn]

DOS

IR

Vibrations