Geometry & MOs

Info

ID:	161553
PubChem CID:	57391966
Reduced:	N4H20C25 (1)
Stoich.:	A4B20C25 (1)
Weight, g/mol:	230.020492
ΔH_f, kcal/mol:	142.48
Dipole, Da:	4.42
IP(EA), eV:	-9.16(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxo-3H-purin-9-yl)methylphosphonic acid

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC3=C2C=CC=N3)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations