Geometry & MOs

Info

ID:	255532
PubChem CID:	103132755
Reduced:	ClSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	122.084398
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	5.64
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-prop-2-enylpyrazole

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations