Geometry & MOs

Info

ID:	196545
PubChem CID:	78846722
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	214.077599
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	1.22
IP(EA), eV:	-9.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanylethyl 1,5-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)Cl)C(=O)OC

DOS

IR

Vibrations