Geometry & MOs

Info

ID:	188060
PubChem CID:	77662648
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	162.042927
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	7.04
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxido-4aH-1,7-naphthyridin-7-ium-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CC3(CCNCC3)C4=CC=CC=C4C2CC=C)[N+](=O)[O-]

DOS

IR

Vibrations