Geometry & MOs

Info

ID:	296662
PubChem CID:	117587884
Reduced:	ClNO5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	235.95853
ΔH_f, kcal/mol:	-226.02
Dipole, Da:	4.58
IP(EA), eV:	-9.46(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)imidazol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1N)C(=O)O)CC(=O)O.Cl

DOS

IR

Vibrations