Geometry & MOs

Info

ID:	8211
PubChem CID:	75395
Reduced:	OH2N2C3 (2)
Stoich.:	AB2C2D3 (2)
Weight, g/mol:	164.033425
ΔH_f, kcal/mol:	11.35
Dipole, Da:	3.06
IP(EA), eV:	-10.51(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-purine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=NC2=NC=NC2=C(N1)C(=O)O

DOS

IR

Vibrations