Geometry & MOs

Info

ID:	14251
PubChem CID:	407241
Reduced:	N2H17C20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	285.139174
ΔH_f, kcal/mol:	85.84
Dipole, Da:	3.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.276968
Charge, e:	1

Chem-info

IUPAC name:

6-methyl-2-(quinolin-1-ium-1-ylmethyl)quinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2)C[N+]3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations