Geometry & MOs

Info

ID:	89175
PubChem CID:	49959755
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	469.91269
ΔH_f, kcal/mol:	-92.38
Dipole, Da:	3.78
IP(EA), eV:	-8.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-5-(3-iodo-4-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations