Geometry & MOs

Info

ID:	760
PubChem CID:	3324
Reduced:	O4N5C14H19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	321.143704
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	3.77
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C

DOS

IR

Vibrations