Geometry & MOs

Info

ID:	280547
PubChem CID:	103849838
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	301.053942
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	4.09
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylsulfonylethoxy)-6-chlorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)OCC2(CCCCC2)O

DOS

IR

Vibrations