Geometry & MOs

Info

ID:	249390
PubChem CID:	103089140
Reduced:	BrSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	45.39
Dipole, Da:	4.47
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylanilino)-5-methylsulfanylpentanenitrile

Drug info:

PubChemData

Smile

CSCCCC(C#N)NC1=CC(=CC=C1)Br

DOS

IR

Vibrations