Geometry & MOs

Info

ID:	132516
PubChem CID:	51374055
Reduced:	N3O3H12C16 (1)
Stoich.:	A3B3C12D16 (1)
Weight, g/mol:	295.144653
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	8.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761970
Charge, e:	1

Chem-info

IUPAC name:

6-methoxy-N-(4-methoxyphenyl)-2-methylquinolin-1-ium-4-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=CC=NC=C3

DOS

IR

Vibrations