Geometry & MOs

Info

ID:	89238
PubChem CID:	49960104
Reduced:	Br2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	358.99055
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	4.56
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=CC=CC4=CC=CC=C43)Br)Br

DOS

IR

Vibrations