Geometry & MOs

Info

ID:	280649
PubChem CID:	103850464
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	3.03
IP(EA), eV:	-9.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylpiperidin-1-yl)sulfonylacetonitrile

Drug info:

PubChemData

Smile

CCC(C#N)S(=O)(=O)N1CCC(CC1)C(C)C

DOS

IR

Vibrations