Geometry & MOs

Info

ID:	88975
PubChem CID:	49958429
Reduced:	Cl2N2O2H18C19 (1)
Stoich.:	A2B2C2D18E19 (1)
Weight, g/mol:	393.97198
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	4.57
IP(EA), eV:	-8.93(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations