Geometry & MOs

Info

ID:	89077
PubChem CID:	49959208
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	424.04226
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	2.39
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-bromonaphthalen-2-yl)oxymethyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C(O2)COC3=C(C=CC(=C3)C)C(C)C

DOS

IR

Vibrations