Geometry & MOs

Info

ID:	369074
PubChem CID:	127331216
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	4.88
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations