Geometry & MOs

Info

ID:

399369

PubChem CID:

135039926

Reduced:

O2Cl3H8C9 (1)

Stoich.:

A2B3C8D9 (1)

Weight, g/mol:

139.075905

ΔHf, kcal/mol:

-61.08

Dipole, Da:

2.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.887365

Charge, e:

 -1

Chem-info

IUPAC name:

(2R)-2-cyclopenta-1,4-dien-1-ylpropane-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)OC(C1=C[CH-]C=C1)C(Cl)(Cl)Cl

DOS

IR

Vibrations