Geometry & MOs

Info

ID:	292608
PubChem CID:	117355979
Reduced:	ClFNO3H5C10 (1)
Stoich.:	ABCD3E5F10 (1)
Weight, g/mol:	241.025419
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	6.62
IP(EA), eV:	-10.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-1H-pyrazol-4-yl)-5-chlorobenzene-1,2,4-triol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=CC(=NO2)C(=O)O)F

DOS

IR

Vibrations