Geometry & MOs

Info

ID:	54320
PubChem CID:	17004685
Reduced:	BrClFON3H18C24 (1)
Stoich.:	ABCDE3F18G24 (1)
Weight, g/mol:	503.12084
ΔH_f, kcal/mol:	1.73
Dipole, Da:	9.03
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3CC5=C(C=CC=C5Cl)F

DOS

IR

Vibrations