Geometry & MOs

Info

ID:	23507
PubChem CID:	604276
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	12.65
Dipole, Da:	2.88
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-2-methyl-1-oxidoquinolin-1-ium

Drug info:

PubChemData

Smile

CC1=[N+](C2=CC=CC=C2C=C1CCCl)[O-]

DOS

IR

Vibrations