Geometry & MOs

Info

ID:	396793
PubChem CID:	135029231
Reduced:	BrOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	220.100048
ΔH_f, kcal/mol:	25.02
Dipole, Da:	3.77
IP(EA), eV:	-9.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)C#CC1=CC=CC=C1Br

DOS

IR

Vibrations