Geometry & MOs

Info

ID:	28970
PubChem CID:	830918
Reduced:	BrN2O2H9C16 (1)
Stoich.:	AB2C2D9E16 (1)
Weight, g/mol:	339.98474
ΔH_f, kcal/mol:	7.64
Dipole, Da:	5.82
IP(EA), eV:	-9.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=O)N2)N=C(O3)C4=CC=CC=C4Br

DOS

IR

Vibrations