Geometry & MOs

Info

ID:	27241
PubChem CID:	819864
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	272.067618
ΔH_f, kcal/mol:	0.33
Dipole, Da:	2.23
IP(EA), eV:	-8.0(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-3-chloro-2-hydroxypropyl]-4,7-dimethylpyrazolo[3,4-b]pyrazine-5,6-dione

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)OC

DOS

IR

Vibrations