Geometry & MOs

Info

ID:	449040
PubChem CID:	135295466
Reduced:	BrN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	325.170474
ΔH_f, kcal/mol:	50.48
Dipole, Da:	1.7
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2E)-1-methyl-2-[3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline

Drug info:

PubChemData

Smile

C=C(C1=C(NC2=CC=CC=C21)N)Br

DOS

IR

Vibrations