Geometry & MOs

Info

ID:	88902
PubChem CID:	49957502
Reduced:	ION2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	455.89704
ΔH_f, kcal/mol:	92.67
Dipole, Da:	4.86
IP(EA), eV:	-9.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenoxy)methyl]-5-(2-iodophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NN=C(O2)C3=CC=CC=C3I

DOS

IR

Vibrations