Geometry & MOs

Info

ID:	89122
PubChem CID:	49959514
Reduced:	BrClN2O2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	436.01893
ΔH_f, kcal/mol:	5.28
Dipole, Da:	4.33
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)C)Br

DOS

IR

Vibrations