Geometry & MOs

Info

ID:	140317
PubChem CID:	52681750
Reduced:	OSN6C25H32 (1)
Stoich.:	ABC6D25E32 (1)
Weight, g/mol:	473.1314
ΔH_f, kcal/mol:	40.85
Dipole, Da:	2.88
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations