Geometry & MOs

Info

ID:	176290
PubChem CID:	76026621
Reduced:	BrON2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	364.95105
ΔH_f, kcal/mol:	43.05
Dipole, Da:	6.09
IP(EA), eV:	-9.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-4-oxo-8-(trifluoromethoxy)-8H-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C=NC(=O)N=C2)Br

DOS

IR

Vibrations