Geometry & MOs

Info

ID:	295074
PubChem CID:	117515297
Reduced:	ClSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	340.00587
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	3.98
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-3-hydroxy-4-methoxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2)OC3CCSC3)Cl)C(=O)O

DOS

IR

Vibrations