Geometry & MOs

Info

ID:	26270
PubChem CID:	643140
Reduced:	OC7H8 (1)
Stoich.:	AB7C8 (1)
Weight, g/mol:	208.05964
ΔH_f, kcal/mol:	25.8
Dipole, Da:	4.76
IP(EA), eV:	-10.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CCC#C/C=C/C=O

DOS

IR

Vibrations