Geometry & MOs

Info

ID:

389850

PubChem CID:

134995574

Reduced:

BrC18H27 (1)

Stoich.:

AB18C27 (1)

Weight, g/mol:

274.087495

ΔHf, kcal/mol:

-20.04

Dipole, Da:

1.59

IP(EA), eV:

-9.05(0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(2-phenylpropan-2-ylperoxy)ethyl methanesulfonate

Drug info:

PubChemData

Smile

CCCCCCC/C(=C\CCBr)/C1=CC=C(C=C1)C

DOS

IR

Vibrations