Geometry & MOs

Info

ID:	202055
PubChem CID:	79622496
Reduced:	OSN2C4H9 (2)
Stoich.:	ABC2D4E9 (2)
Weight, g/mol:	284.155849
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	5.05
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CSC(=NN)N

DOS

IR

Vibrations