Geometry & MOs

Info

ID:	253583
PubChem CID:	103119395
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	5.98
IP(EA), eV:	-9.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethoxy-1-(1-methylindazol-3-yl)butane-1,3-dione

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CC(=O)C(OC)OC

DOS

IR

Vibrations