Geometry & MOs

Info

ID:	89123
PubChem CID:	49959515
Reduced:	BrClN2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	342.060034
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	3.32
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)C)Br

DOS

IR

Vibrations