Geometry & MOs

Info

ID:	254296
PubChem CID:	103124050
Reduced:	OF3N3H6C11 (1)
Stoich.:	AB3C3D6E11 (1)
Weight, g/mol:	251.98983
ΔH_f, kcal/mol:	-122.85
Dipole, Da:	4.49
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methylphenyl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C#N)N2C=CNC2=O

DOS

IR

Vibrations