Geometry & MOs

Info

ID:	53902
PubChem CID:	14718341
Reduced:	N4C14H17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	291.160972
ΔH_f, kcal/mol:	100.33
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.475771
Charge, e:	1

Chem-info

IUPAC name:

N,N-dimethyl-4-[(1-methylquinolin-1-ium-3-yl)diazenyl]aniline

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)N=NC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations