Geometry & MOs

Info

ID:	249510
PubChem CID:	103090128
Reduced:	SN2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	227.145619
ΔH_f, kcal/mol:	19.52
Dipole, Da:	3.36
IP(EA), eV:	-8.61(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-5-methylsulfanylpentanenitrile

Drug info:

PubChemData

Smile

CN(C)C(CCCSC)C#N

DOS

IR

Vibrations