Geometry & MOs

Info

ID:	89052
PubChem CID:	49958995
Reduced:	Br2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	8.6
Dipole, Da:	3.56
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-methylphenyl)ethenyl]-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3)Br)Br

DOS

IR

Vibrations