Geometry & MOs

Info

ID:	253548
PubChem CID:	103119151
Reduced:	SN4O4C10H18 (1)
Stoich.:	AB4C4D10E18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	10.74
IP(EA), eV:	-9.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(1-methylindazol-3-yl)pentane-1,3-dione

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations