Geometry & MOs

Info

ID:	20541
PubChem CID:	584546
Reduced:	O2N3C6H8 (2)
Stoich.:	A2B3C6D8 (2)
Weight, g/mol:	308.123303
ΔH_f, kcal/mol:	-117.18
Dipole, Da:	3.66
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO

DOS

IR

Vibrations