Geometry & MOs

Info

ID:	203671
PubChem CID:	79858056
Reduced:	SN2O3C9H22 (1)
Stoich.:	AB2C3D9E22 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-142.95
Dipole, Da:	3.92
IP(EA), eV:	-9.06(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[methyl(2-methylsulfonylethyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC(CN(C)CCS(=O)(=O)C)(CO)NC

DOS

IR

Vibrations