Geometry & MOs

Info

ID:	188596
PubChem CID:	77740039
Reduced:	BrN3O6C31H36 (1)
Stoich.:	AB3C6D31E36 (1)
Weight, g/mol:	336.129634
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	6.28
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-(1-benzothiophen-3-yl)ethylamino]cyclopentylidene]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=NN=C(O1)C2=CC3=C(O2)C=CC=C3OCC(CN4CCC(CC4)C5=CC6=CC=CC=C6C=C5)O.O.Br

DOS

IR

Vibrations