Geometry & MOs

Info

ID:

57145

PubChem CID:

22395394

Reduced:

NaO2C6H12 (1)

Stoich.:

AB2C6D12 (1)

Weight, g/mol:

140.08373

ΔHf, kcal/mol:

-91.1

Dipole, Da:

3.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750000

Charge, e:

 0

Chem-info

IUPAC name:

4-ethenylcyclohexene-1,2-diol

Drug info:

PubChemData

Smile

C1CCC(C(C1)O)O.[Na+]

DOS

IR

Vibrations