Geometry & MOs

Info

ID:	179227
PubChem CID:	76453347
Reduced:	N5O6C13H17 (1)
Stoich.:	A5B6C13D17 (1)
Weight, g/mol:	352.149518
ΔH_f, kcal/mol:	-199.11
Dipole, Da:	3.97
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 2-(dimethylamino)acetate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COC(=O)CCO)O)O)N

DOS

IR

Vibrations