Geometry & MOs

Info

ID:	21082
PubChem CID:	587118
Reduced:	ClN2O4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	292.025084
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	3.17
IP(EA), eV:	-10.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino(hydroxy)methylidene]-6-(4-chlorophenyl)-6-hydroxy-3,4-dioxohex-5-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC(=O)C(=O)C(=C(N)O)C#N)O)Cl

DOS

IR

Vibrations