Geometry & MOs

Info

ID:	395767
PubChem CID:	135026481
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	234.115698
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	6.51
IP(EA), eV:	-8.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-methyl-2-(pyridin-1-ium-1-ylmethylidene)quinolin-1-ide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC3=C2CC(=O)N(C3)CC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations