Geometry & MOs

Info

ID:	89128
PubChem CID:	49959532
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	438.95706
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	7.7
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations