Geometry & MOs

Info

ID:	89114
PubChem CID:	49959484
Reduced:	ClFN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	323.090606
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	3.25
IP(EA), eV:	-9.06(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations