Geometry & MOs

Info

ID:	295281
PubChem CID:	117524806
Reduced:	BrClON3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	287.98983
ΔH_f, kcal/mol:	63.35
Dipole, Da:	2.84
IP(EA), eV:	-8.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=NN3C=CC(=CC3=N2)Br)Cl

DOS

IR

Vibrations