Geometry & MOs

Info

ID:	406750
PubChem CID:	135078522
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	209.165388
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	8.99
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(cyclohexylmethylidene)-5,5-dimethylpyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CC1(CC(=N[N+]1=CC2CCCCC2)[O-])C

DOS

IR

Vibrations