Geometry & MOs

Info

ID:	401880
PubChem CID:	135053189
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	337.022183
ΔH_f, kcal/mol:	83.85
Dipole, Da:	5.8
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,3-dimethylquinolin-1-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])C(=O)C2=CC=CC=C2

DOS

IR

Vibrations