Geometry & MOs

Info

ID:	334321
PubChem CID:	127252873
Reduced:	O2N4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	356.075012
ΔH_f, kcal/mol:	18.35
Dipole, Da:	5.63
IP(EA), eV:	-8.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-benzothiophen-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC=CC6=C5N=CC=C6

DOS

IR

Vibrations