Geometry & MOs

Info

ID:	372570
PubChem CID:	131299924
Reduced:	Cl2N3H5C7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	55.96
Dipole, Da:	4.53
IP(EA), eV:	-10.48(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-methyl-5-methylsulfonylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)Cl)Cl)CCC#N

DOS

IR

Vibrations