Geometry & MOs

Info

ID:	401817
PubChem CID:	135052756
Reduced:	ClNO2C5H5 (2)
Stoich.:	ABC2D5E5 (2)
Weight, g/mol:	301.054614
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	7.61
IP(EA), eV:	-8.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxy-2-oxoethyl)-N-hydroxy-3,5-dinitrocyclohexa-2,5-dien-1-imine oxide

Drug info:

PubChemData

Smile

CCOC(=O)ON/C(=C\1/C=C(C=C(C1=O)Cl)Cl)/N

DOS

IR

Vibrations