Geometry & MOs

Info

ID:	89094
PubChem CID:	49959349
Reduced:	Br2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	398.058883
ΔH_f, kcal/mol:	-10.98
Dipole, Da:	1.52
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichlorophenoxy)ethyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC(=C(C=C3)OC)Br)Br

DOS

IR

Vibrations