Geometry & MOs

Info

ID:	89027
PubChem CID:	49958795
Reduced:	ClN2O2H17C22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	485.9076
ΔH_f, kcal/mol:	47.08
Dipole, Da:	4.01
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NN=C(O3)COC4=CC=CC=C4Cl

DOS

IR

Vibrations