Geometry & MOs

Info

ID:	66190
PubChem CID:	46500403
Reduced:	ON2S2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	319.181038
ΔH_f, kcal/mol:	47.04
Dipole, Da:	9.88
IP(EA), eV:	-8.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(E)-2-(7-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CCN1/C(=C/2\C(=O)N(C(=S)S2)C3=CC=CC=C3)/C=CC4=C1C=C(C=C4)C

DOS

IR

Vibrations