Geometry & MOs

Info

ID:	441079
PubChem CID:	135233021
Reduced:	NO2C5H11 (1)
Stoich.:	AB2C5D11 (1)
Weight, g/mol:	492.15253
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	3.38
IP(EA), eV:	-9.42(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-ditert-butyl-6-(4-methoxy-4-phenylbut-1-en-2-yl)phenyl] hypoiodite

Drug info:

PubChemData

Smile

CC1COC(N1C)O

DOS

IR

Vibrations