Geometry & MOs

Info

ID:	88918
PubChem CID:	49957741
Reduced:	Cl2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	407.98763
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	0.99
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenoxy)methyl]-5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)COC3=CC=CC=C3Cl

DOS

IR

Vibrations