Geometry & MOs

Info

ID:	10205
PubChem CID:	98854
Reduced:	N5O5C11H13 (1)
Stoich.:	A5B5C11D13 (1)
Weight, g/mol:	295.091669
ΔH_f, kcal/mol:	-140.9
Dipole, Da:	2.15
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl formate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3[C@H]([C@@H]([C@H](O3)COC=O)O)O)N

DOS

IR

Vibrations