Geometry & MOs

Info

ID:

57142

PubChem CID:

22395390

Reduced:

NaSO5C8H16 (1)

Stoich.:

ABC5D8E16 (1)

Weight, g/mol:

170.094294

ΔHf, kcal/mol:

-222.32

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750020

Charge, e:

 0

Chem-info

IUPAC name:

3-ethenylcyclohexane-1-carboperoxoic acid

Drug info:

PubChemData

Smile

C1CC(C(CC1CCS(=O)(=O)O)O)O.[Na+]

DOS

IR

Vibrations