Geometry & MOs

Info

ID:	88955
PubChem CID:	49958179
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	358.087291
ΔH_f, kcal/mol:	7.03
Dipole, Da:	4.66
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(2-chlorophenyl)ethenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations