Geometry & MOs

Info

ID:	156778
PubChem CID:	56385591
Reduced:	F2O5N6H16C19 (1)
Stoich.:	A2B5C6D16E19 (1)
Weight, g/mol:	420.03208
ΔH_f, kcal/mol:	-112.45
Dipole, Da:	4.32
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-bromophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=O)N2CC3=NN=NN3C4=CC=C(C=C4)OC(F)F)OC

DOS

IR

Vibrations