Geometry & MOs

Info

ID:	320577
PubChem CID:	126661917
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	406.207885
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	6.87
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(azecan-5-yl)phenyl]-1-(2-thiophen-2-yl-3H-pyrrol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1CNCCN(C1)C(=O)C2=CNC(=S)C=C2

DOS

IR

Vibrations