Geometry & MOs

Info

ID:	89047
PubChem CID:	49958964
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	4.88
IP(EA), eV:	-8.47(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C(O2)/C=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations