Geometry & MOs

Info

ID:	88901
PubChem CID:	49957494
Reduced:	ClIN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	373.99161
ΔH_f, kcal/mol:	23.12
Dipole, Da:	3.3
IP(EA), eV:	-8.88(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-iodophenyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3=CC=CC=C3I)Cl

DOS

IR

Vibrations