Geometry & MOs

Info

ID:	89217
PubChem CID:	49960002
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	3.76
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)COC2=CC=CC=C2Cl

DOS

IR

Vibrations