Geometry & MOs

Info

ID:	89021
PubChem CID:	49958765
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	9.74
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3Cl

DOS

IR

Vibrations