Geometry & MOs

Info

ID:	253542
PubChem CID:	103119109
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	299.046154
ΔH_f, kcal/mol:	18.84
Dipole, Da:	2.09
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations