Geometry & MOs

Info

ID:	89029
PubChem CID:	49958807
Reduced:	BrIN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	499.92325
ΔH_f, kcal/mol:	32.05
Dipole, Da:	1.69
IP(EA), eV:	-9.03(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC(=C(C=C3)OC)I)Br

DOS

IR

Vibrations