Geometry & MOs

Info

ID:	89186
PubChem CID:	49959822
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	460.04226
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	3.25
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-bromonaphthalen-2-yl)oxymethyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC2=NN=C(O2)COC3=CC=CC4=CC=CC=C43)C

DOS

IR

Vibrations