Geometry & MOs

Info

ID:	182775
PubChem CID:	76936679
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	220.08345
ΔH_f, kcal/mol:	-17.9
Dipole, Da:	4.49
IP(EA), eV:	-8.58(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-aminopyrazol-1-yl)ethyl]pyridazin-1-ium-3,6-dione

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCCN2C=C(C=N2)N

DOS

IR

Vibrations