Geometry & MOs

Info

ID:	253582
PubChem CID:	103119387
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	5.85
IP(EA), eV:	-9.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C(C(=O)C1)C(=O)C2=NN(C=C2)C)C

DOS

IR

Vibrations