Geometry & MOs

Info

ID:	144626
PubChem CID:	53388762
Reduced:	NSiO5C29H53 (1)
Stoich.:	ABC5D29E53 (1)
Weight, g/mol:	248.102174
ΔH_f, kcal/mol:	-307.35
Dipole, Da:	3.68
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCCC[C@@H](C/C=C/CCC(=O)NC[C@H](C1=CC[C@H]([C@H](C1=O)C)O[Si](C)(C)C(C)(C)C)OC)OC

DOS

IR

Vibrations