Geometry & MOs

Info

ID:	410729
PubChem CID:	135083530
Reduced:	SO3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	2.25
IP(EA), eV:	-9.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-(cyclohexylmethylidene)-5,5-dimethyl-4H-pyrazol-1-ium-3-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(C2=CC=CS2)O

DOS

IR

Vibrations