Geometry & MOs

Info

ID:	161554
PubChem CID:	57391972
Reduced:	PN4O4C6H7 (1)
Stoich.:	AB4C4D6E7 (1)
Weight, g/mol:	273.062691
ΔH_f, kcal/mol:	-150.58
Dipole, Da:	8.78
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-6-oxo-3H-purin-9-yl)propylphosphonic acid

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)CP(=O)(O)O

DOS

IR

Vibrations