Geometry & MOs

Info

ID:	249388
PubChem CID:	103089127
Reduced:	SN2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	254.064447
ΔH_f, kcal/mol:	35.52
Dipole, Da:	5.76
IP(EA), eV:	-8.7(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-5-methylsulfanylpentanenitrile

Drug info:

PubChemData

Smile

CSCCCC(C#N)NC1CC1

DOS

IR

Vibrations