Geometry & MOs

Info

ID:	135586
PubChem CID:	51897111
Reduced:	ClN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	340.122321
ΔH_f, kcal/mol:	-86.57
Dipole, Da:	2.84
IP(EA), eV:	-9.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=N1)C=CN(C2=O)[C@H](C)C3=CC=C(C=C3)Cl)C(=O)OC

DOS

IR

Vibrations