Geometry & MOs

Info

ID:	88984
PubChem CID:	49958491
Reduced:	BrClN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	300.046569
ΔH_f, kcal/mol:	18.35
Dipole, Da:	1.72
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3Cl)Br

DOS

IR

Vibrations