Geometry & MOs

Info

ID:	207558
PubChem CID:	80415902
Reduced:	SN5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	116.96
Dipole, Da:	7.68
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyano-N-methylanilino)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CN(CC1=C(SN=N1)N)C2=CC=CC=C2C#N

DOS

IR

Vibrations