Prediction of HOMO-LUMO gap

Examples:

Input SMILES: C=CC=CC=C

Molecule: Hexa-1,3,5-triene

Output:

HOMO-LUMO Gap (Predicted Experimental Value): 4.5824 eV

(Actual HOMO-LUMO value gap is: 4.63 eV)

To create the SMILES of molecules click here (if required)