Geometry & MOs

Info

ID:	50060
PubChem CID:	11539087
Reduced:	ClON9H18C19 (1)
Stoich.:	ABC9D18E19 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	148.65
Dipole, Da:	3.66
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-7-[(4-fluorophenyl)methyl]-3-[hydroxy-(2-piperidin-1-ylethylamino)methylidene]-1H-1,5-naphthyridine-2,4-dione

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C2=NN=C3N2CCCN3CC4=NN(N=N4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations