Geometry & MOs

Info

ID:	20046
PubChem CID:	577595
Reduced:	BrNO4H10C18 (1)
Stoich.:	ABC4D10E18 (1)
Weight, g/mol:	382.97932
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	3.19
IP(EA), eV:	-8.99(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-2-oxochromen-3-yl)-2-hydroxy-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C3=CC4=C(C=CC(=C4)Br)OC3=O

DOS

IR

Vibrations