Geometry & MOs

Info

ID:	89117
PubChem CID:	49959500
Reduced:	ClN4O6H11C16 (1)
Stoich.:	AB4C6D11E16 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	11.4
Dipole, Da:	3.33
IP(EA), eV:	-9.34(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations