Geometry & MOs

Info

ID:	89139
PubChem CID:	49959596
Reduced:	Br2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	370.03169
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	4.38
IP(EA), eV:	-9.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenoxy)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=CC=C(C=C3)Br)Br

DOS

IR

Vibrations