Geometry & MOs

Info

ID:	179202
PubChem CID:	76450984
Reduced:	PN6O6C10H13 (1)
Stoich.:	AB6C6D10E13 (1)
Weight, g/mol:	328.068505
ΔH_f, kcal/mol:	-213.11
Dipole, Da:	8.5
IP(EA), eV:	-9.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-amino-6-oxo-5H-purin-9-yl)pyrrolidine-1-carbonyl]phosphonic acid

Drug info:

PubChemData

Smile

C1C(C(CN1C(=O)P(=O)(O)O)O)N2C=NC3C2=NC(=NC3=O)N

DOS

IR

Vibrations