Geometry & MOs

Info

ID:	17366
PubChem CID:	494268
Reduced:	ClN4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	400.093833
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	6.06
IP(EA), eV:	-9.06(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-1-phenylpyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=NC4=C(C=C(C=C4)Cl)N=C3C(=N2)C(C(C(CO)O)O)O

DOS

IR

Vibrations