Geometry & MOs

Info

ID:

224730

PubChem CID:

85349062

Reduced:

ClNOH11C13 (1)

Stoich.:

ABCD11E13 (1)

Weight, g/mol:

232.131074

ΔHf, kcal/mol:

22.97

Dipole, Da:

3.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.262905

Charge, e:

 0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-pent-4-enyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C[N+]2=CC=CC=C2Cl)O

DOS

IR

Vibrations