Geometry & MOs

Info

ID:	358737
PubChem CID:	127296551
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	3.27
IP(EA), eV:	-9.48(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylidenepiperidin-1-yl)sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1CC1)N(C)S(=O)(=O)N2CCC(=C)CC2

DOS

IR

Vibrations