Geometry & MOs

Info

ID:	89079
PubChem CID:	49959211
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	407.98763
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	3.89
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C(O2)COC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations