Geometry & MOs

Info

ID:	272593
PubChem CID:	103749705
Reduced:	SO3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylbutylsulfanyl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)CSC(C)C1=CC=C(O1)C(=O)OC

DOS

IR

Vibrations