Geometry & MOs

Info

ID:	88953
PubChem CID:	49958155
Reduced:	BrN2O2H11C18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	358.03169
ΔH_f, kcal/mol:	68.19
Dipole, Da:	3.79
IP(EA), eV:	-9.21(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(O4)Br

DOS

IR

Vibrations