Geometry & MOs

Info

ID:	20488
PubChem CID:	584236
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	3.66
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1C(C(C(O1)N2C=CC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations