Geometry & MOs

Info

ID:	89084
PubChem CID:	49959243
Reduced:	Br2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	3.19
IP(EA), eV:	-9.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations