Geometry & MOs

Info

ID:	20805
PubChem CID:	585796
Reduced:	ClN3O4H6C8 (1)
Stoich.:	AB3C4D6E8 (1)
Weight, g/mol:	243.004683
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	3.65
IP(EA), eV:	-9.63(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[chloro(nitro)methylidene]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NN=C([N+](=O)[O-])Cl)C(=O)O

DOS

IR

Vibrations