Geometry & MOs

Info

ID:	89033
PubChem CID:	49958817
Reduced:	INOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	46.4
Dipole, Da:	1.83
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC(=C(C=C3)OC)I)I

DOS

IR

Vibrations