Geometry & MOs

Info

ID:	8405
PubChem CID:	77262
Reduced:	NBr2O2H11C17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	420.9136
ΔH_f, kcal/mol:	1.21
Dipole, Da:	3.13
IP(EA), eV:	-9.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dibromo-2-methylquinolin-8-yl) benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br

DOS

IR

Vibrations