Geometry & MOs

Info

ID:	171280
PubChem CID:	75353686
Reduced:	Br2N2O2H14C21 (1)
Stoich.:	A2B2C2D14E21 (1)
Weight, g/mol:	390.03678
ΔH_f, kcal/mol:	66.77
Dipole, Da:	5.07
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methylphenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations