Geometry & MOs

Info

ID:	283575
PubChem CID:	103990302
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	8.15
IP(EA), eV:	-9.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)C#N

DOS

IR

Vibrations