Geometry & MOs

Info

ID:	320517
PubChem CID:	126661565
Reduced:	N2O2F3C23H23 (1)
Stoich.:	A2B2C3D23E23 (1)
Weight, g/mol:	400.160935
ΔH_f, kcal/mol:	-189.12
Dipole, Da:	6.24
IP(EA), eV:	-9.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-benzothiophen-5-yl)-3H-pyrrol-5-yl]-2-(2-piperidin-1-ylphenyl)ethanone

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C/C1=C(C(=CC(=C1)C#N)C2=CC=C(C=C2)OC(F)(F)F)C)/C

DOS

IR

Vibrations