Geometry & MOs

Info

ID:	358738
PubChem CID:	127296552
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	245.108565
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	5.25
IP(EA), eV:	-9.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-1-(oxolan-2-ylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

C=C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)C#N

DOS

IR

Vibrations