Geometry & MOs

Info

ID:	89086
PubChem CID:	49959255
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	-21.87
Dipole, Da:	3.8
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)COC2=CC=CC=C2C

DOS

IR

Vibrations