Geometry & MOs

Info

ID:

142134

PubChem CID:

52987494

Reduced:

ClN4O4H16C19 (1)

Stoich.:

AB4C4D16E19 (1)

Weight, g/mol:

208.084792

ΔHf, kcal/mol:

-85.67

Dipole, Da:

4.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.087670

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)[NH+]=C(C=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations