Geometry & MOs

Info

ID:	369084
PubChem CID:	127331241
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	3.1
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(2,3-dihydro-1-benzothiophen-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)NC2CSC3=CC=CC=C23)O

DOS

IR

Vibrations