Geometry & MOs

Info

ID:	337787
PubChem CID:	127258410
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	176.068473
ΔH_f, kcal/mol:	-157.04
Dipole, Da:	0.97
IP(EA), eV:	-10.05(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-propoxybutaneperoxoic acid

Drug info:

PubChemData

Smile

C=CCCC/C=C/COC(=O)CCC(=O)OC/C=C/CCCC=C

DOS

IR

Vibrations