Geometry & MOs

Info

ID:	88997
PubChem CID:	49958618
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	344.09277
ΔH_f, kcal/mol:	14.21
Dipole, Da:	4.54
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(O2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations