Geometry & MOs

Info

ID:	410985
PubChem CID:	135083789
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	221.109016
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	8.14
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-[(4-fluorophenyl)methylidene]-5,5-dimethylpyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CC\1(CC(=N/[N+]1=C\C2=CC=C(C=C2)F)[O-])C

DOS

IR

Vibrations