Geometry & MOs

Info

ID:	89116
PubChem CID:	49959499
Reduced:	N3O4H15C21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	390.036712
ΔH_f, kcal/mol:	50.96
Dipole, Da:	5.31
IP(EA), eV:	-9.09(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-methylphenoxy)methyl]-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations