Geometry & MOs

Info

ID:	411051
PubChem CID:	135083860
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	233.129003
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	6.98
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations