Geometry & MOs

Info

ID:	89234
PubChem CID:	49960092
Reduced:	N3O4H15C17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	331.035983
ΔH_f, kcal/mol:	13.97
Dipole, Da:	1.5
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations