Geometry & MOs

Info

ID:	317449
PubChem CID:	126637700
Reduced:	IO4N6C27H31 (1)
Stoich.:	AB4C6D27E31 (1)
Weight, g/mol:	240.95385
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	4.81
IP(EA), eV:	-8.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-fluoro-1H-quinolin-7-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)/N=C/N(C)C)COC4=C(C5=C(C=CC=N5)C=C4)I)OC(C)(C)O

DOS

IR

Vibrations