Geometry & MOs

Info

ID:	191624
PubChem CID:	78169334
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	333.123917
ΔH_f, kcal/mol:	8.38
Dipole, Da:	2.75
IP(EA), eV:	-8.74(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-6H-benzo[f][2,7]naphthyridin-6-ium-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(N2)C3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations