Geometry & MOs

Info

ID:	254316
PubChem CID:	103124232
Reduced:	BrON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	2.82
Dipole, Da:	4.74
IP(EA), eV:	-8.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-aminoquinolin-5-yl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C=CNC2=O)Br)N

DOS

IR

Vibrations