Geometry & MOs

Info

ID:	89273
PubChem CID:	49960183
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	443.98763
ΔH_f, kcal/mol:	-0.38
Dipole, Da:	5.5
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenoxy)methyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C(O2)COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations