Geometry & MOs

Info

ID:	25895
PubChem CID:	632671
Reduced:	BrO2N3H10C17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	446.72504
ΔH_f, kcal/mol:	9.22
Dipole, Da:	1.45
IP(EA), eV:	-9.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dichloro-2-(tribromomethyl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=NC(=N3)C4=CC(=CC=C4)Br)N)C(=O)O2

DOS

IR

Vibrations