Geometry & MOs

Info

ID:	89003
PubChem CID:	49958639
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	318.022977
ΔH_f, kcal/mol:	22.77
Dipole, Da:	6.33
IP(EA), eV:	-9.09(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations