Geometry & MOs

Info

ID:	89295
PubChem CID:	49960326
Reduced:	BrN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	450.03458
ΔH_f, kcal/mol:	-3.77
Dipole, Da:	4.61
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-propan-2-ylphenoxy)methyl]-5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations