Geometry & MOs

Info

ID:	378070
PubChem CID:	134224141
Reduced:	Cl2N2O3H16C27 (1)
Stoich.:	A2B2C3D16E27 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	5.12
IP(EA), eV:	-9.38(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2E)-2-[amino(phenoxy)methylidene]cyclohex-3-en-1-ylidene]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC3=C(C=C2)C(=C(N3C4=CC=C(C=C4)Cl)C(=O)O)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations