Geometry & MOs

Info

ID:	28005
PubChem CID:	824792
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	191.033091
ΔH_f, kcal/mol:	78.62
Dipole, Da:	7.14
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-1H-1,6-naphthyridin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(C(CC3)(C#N)C#N)N=C2

DOS

IR

Vibrations