Geometry & MOs

Info

ID:	88931
PubChem CID:	49957865
Reduced:	BrN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	4.55
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylphenoxy)methyl]-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C)C)Br

DOS

IR

Vibrations