Geometry & MOs

Info

ID:	88983
PubChem CID:	49958485
Reduced:	BrClN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	363.96142
ΔH_f, kcal/mol:	12.06
Dipole, Da:	3.09
IP(EA), eV:	-9.2(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations