Geometry & MOs

Info

ID:	413802
PubChem CID:	135086752
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	165.066403
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	6.12
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z)-1-(furan-2-ylmethylidene)pyrazolidin-1-ium-3-one

Drug info:

PubChemData

Smile

C1C/[N+](=C/C2=CC=CO2)/N=C1[O-]

DOS

IR

Vibrations