Geometry & MOs

Info

ID:	89031
PubChem CID:	49958810
Reduced:	IN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	499.92325
ΔH_f, kcal/mol:	15.16
Dipole, Da:	2.87
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations