Geometry & MOs

Info

ID:	437328
PubChem CID:	135224234
Reduced:	O5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	334.250795
ΔH_f, kcal/mol:	-192.05
Dipole, Da:	3.66
IP(EA), eV:	-8.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,5-dihexylphenyl)ethaneperoxoate

Drug info:

PubChemData

Smile

COCC1CC2(C1)OC3=C(O2)C=C(C=C3)CCCCC(=O)OC

DOS

IR

Vibrations