Geometry & MOs

Info

ID:	85121
PubChem CID:	49871940
Reduced:	ON5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	126.66
Dipole, Da:	6.96
IP(EA), eV:	-8.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-2-yl)-3-(4-methylpyridin-3-yl)imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3C4=CNOC4=NC(=C3C#N)C

DOS

IR

Vibrations