Geometry & MOs

Info

ID:	89133
PubChem CID:	49959555
Reduced:	Br2N2O2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	441.88092
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	4.18
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromophenoxy)methyl]-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations