Geometry & MOs

Info

ID:	374777
PubChem CID:	131342754
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-90.27
Dipole, Da:	4.71
IP(EA), eV:	-8.68(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(thian-4-yl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1SC=C2OC)C(=O)O

DOS

IR

Vibrations