Geometry & MOs

Info

ID:	147458
PubChem CID:	53787114
Reduced:	ClNO2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	316.181373
ΔH_f, kcal/mol:	-144.83
Dipole, Da:	2.82
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-ethyl-3-methyl-5-phenyl-5H-benzo[c][2,7]naphthyridin-3-ium-8-amine

Drug info:

PubChemData

Smile

CC(C(=O)NCC(O)O)OC1=CC=C(C=C1)C2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations