Geometry & MOs

Info

ID:	88964
PubChem CID:	49958260
Reduced:	N2O2H22C23 (1)
Stoich.:	A2B2C22D23 (1)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	22.54
Dipole, Da:	3.47
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations