Geometry & MOs

Info

ID:	372071
PubChem CID:	131292816
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-59.83
Dipole, Da:	3.35
IP(EA), eV:	-8.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-4-methylsulfonylphenyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C(=C1)N)NC=C2Cl

DOS

IR

Vibrations