Geometry & MOs

Info

ID:	253552
PubChem CID:	103119171
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	268.084792
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	6.87
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-3-(1-methylindazol-3-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

CSCCCN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations