Geometry & MOs

Info

ID:	199198
PubChem CID:	79213485
Reduced:	ClNSC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	22.2
Dipole, Da:	4.5
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCNC(CC1=CC(=CC=C1)Cl)C2=CC=C(C=C2)SC

DOS

IR

Vibrations