Geometry & MOs

Info

ID:	413800
PubChem CID:	135086750
Reduced:	ClON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	209.048166
ΔH_f, kcal/mol:	19.89
Dipole, Da:	5.93
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-[(3-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

C1C/[N+](=C/C2=CC(=CC=C2)Cl)/N=C1[O-]

DOS

IR

Vibrations