Geometry & MOs

Info

ID:	389858
PubChem CID:	134995621
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	307.99094
ΔH_f, kcal/mol:	-2.11
Dipole, Da:	2.77
IP(EA), eV:	-10.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-1-hydroperoxy-3-iodo-1-methoxypropan-2-yl]benzene

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=N1)OO

DOS

IR

Vibrations