Geometry & MOs

Info

ID:	391824
PubChem CID:	135009953
Reduced:	BrN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	426.04533
ΔH_f, kcal/mol:	1.87
Dipole, Da:	2.79
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(3-bromo-1-ethoxycarbonyl-2H-quinolin-2-yl)-2-hydroxy-2-phenylethenediazonium

Drug info:

PubChemData

Smile

CCOC(=O)N1C(C(=CC2=CC=CC=C21)Br)/C(=C(/C3=CC=CC=C3)\[O-])/[N+]#N

DOS

IR

Vibrations