Geometry & MOs

Info

ID:	410730
PubChem CID:	135083531
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	209.165388
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	8.02
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1(CC(=N/[N+]1=C\C2CCCCC2)[O-])C

DOS

IR

Vibrations