Geometry & MOs

Info

ID:	277238
PubChem CID:	103827434
Reduced:	BrClNO2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	295.05124
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	3.55
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations