Geometry & MOs

Info

ID:	406749
PubChem CID:	135078521
Reduced:	SO2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	7.39
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC/C=C/C=O)/C=C/C(=O)C1=CC=CS1

DOS

IR

Vibrations