Geometry & MOs

Info

ID:	15803
PubChem CID:	451743
Reduced:	PN5O5C9H14 (1)
Stoich.:	AB5C5D9E14 (1)
Weight, g/mol:	303.073256
ΔH_f, kcal/mol:	-205.23
Dipole, Da:	11.34
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC2=C(N1CCCOCP(=O)(O)O)NC(=NC2=O)N

DOS

IR

Vibrations