Geometry & MOs

Info

ID:	289524
PubChem CID:	104359448
Reduced:	BrClNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	304.90098
ΔH_f, kcal/mol:	-25.27
Dipole, Da:	2.9
IP(EA), eV:	-9.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2-chlorophenyl)-4-(chloromethyl)-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=C(N=CO2)CO

DOS

IR

Vibrations