Geometry & MOs

Info

ID:	20958
PubChem CID:	586386
Reduced:	ClN3O4H10C14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	319.035983
ΔH_f, kcal/mol:	8.79
Dipole, Da:	5.79
IP(EA), eV:	-9.88(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[amino-(4-chlorophenyl)methylidene]amino] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)ON=C(C2=CC=C(C=C2)Cl)N)[N+](=O)[O-]

DOS

IR

Vibrations