Geometry & MOs

Info

ID:	294793
PubChem CID:	117495531
Reduced:	ClSN2O3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	309.9953
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	3.89
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CS1)OC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)O)Cl

DOS

IR

Vibrations