Geometry & MOs

Info

ID:	182241
PubChem CID:	76862648
Reduced:	NO3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	299.074678
ΔH_f, kcal/mol:	3.95
Dipole, Da:	3.22
IP(EA), eV:	-8.81(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)C(=CC2=CC3=C(O2)C(=CC=C3)OC)C#N

DOS

IR

Vibrations