Geometry & MOs

Info

ID:	89046
PubChem CID:	49958924
Reduced:	BrN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	5.56
Dipole, Da:	5.35
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C(O2)COC3=C(C4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations