Geometry & MOs

Info

ID:	336566
PubChem CID:	127255573
Reduced:	ClN2O2C5H5 (2)
Stoich.:	AB2C2D5E5 (2)
Weight, g/mol:	318.86665
ΔH_f, kcal/mol:	-105.25
Dipole, Da:	8.17
IP(EA), eV:	-9.79(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dibromo-4-hydroxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3Cl)Cl)O)O)O

DOS

IR

Vibrations