Geometry & MOs

Info

ID:	89093
PubChem CID:	49959340
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	453.93507
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	6.7
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-5-[(2-bromo-4-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations