Geometry & MOs

Info

ID:	336494
PubChem CID:	127255501
Reduced:	ClSN2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	134.02469
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	5.72
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4H-pyrazol-3-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=NSC=C1N.Cl

DOS

IR

Vibrations