Geometry & MOs

Info

ID:	88951
PubChem CID:	49958091
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	388.080769
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	3.55
IP(EA), eV:	-9.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dinitrophenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC2=NN=C(O2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations