Geometry & MOs

Info

ID:	89001
PubChem CID:	49958630
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	393.97198
ΔH_f, kcal/mol:	-30.44
Dipole, Da:	4.01
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations