Geometry & MOs

Info

ID:	406779
PubChem CID:	135078599
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	235.108267
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	9.36
IP(EA), eV:	-8.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-[(3,4-dimethoxyphenyl)methylidene]pyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=[N+]\2/CCC(=N2)[O-])OC

DOS

IR

Vibrations