Geometry & MOs

Info

ID:	138506
PubChem CID:	52376355
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	179.0569
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	3.92
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[(1S)-1-hydroxyethyl]-1H-pyrazolo[3,4-b]pyrazin-5-olate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CCC3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations