Geometry & MOs

Info

ID:	284923
PubChem CID:	104083707
Reduced:	ClSN2O4C9H11 (1)
Stoich.:	ABC2D4E9F11 (1)
Weight, g/mol:	258.00039
ΔH_f, kcal/mol:	-137.8
Dipole, Da:	6.64
IP(EA), eV:	-10.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-cyclopentylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)N2C(=C(C=N2)C(=O)O)Cl

DOS

IR

Vibrations