Geometry & MOs

Info

ID:	12349
PubChem CID:	135565
Reduced:	NS2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	276.088067
ΔH_f, kcal/mol:	52.03
Dipole, Da:	2.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.169337
Charge, e:	1

Chem-info

IUPAC name:

2-[2,2-bis(methylsulfanyl)ethenyl]-1,6-dimethylquinolin-1-ium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[N+](=C(C=C2)C=C(SC)SC)C

DOS

IR

Vibrations