Geometry & MOs

Info

ID:	387586
PubChem CID:	134986008
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	231.149738
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	1.28
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,2-dimethyl-1-phenylpropylidene)pyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=[N+](/CCC(=O)C)\[O-]

DOS

IR

Vibrations