Geometry & MOs

Info

ID:	222168
PubChem CID:	85294894
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	146.094294
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	1.28
IP(EA), eV:	-10.09(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroperoxy-2,4-dimethylpent-4-en-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)OCC=CC

DOS

IR

Vibrations