Geometry & MOs

Info

ID:	437931
PubChem CID:	135227326
Reduced:	INF2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	279.149538
ΔH_f, kcal/mol:	-69.58
Dipole, Da:	3.29
IP(EA), eV:	-8.87(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-fluoro-2-[6-(methylamino)purin-9-yl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

C=C(C1=CC(C[C@@H]2C1CC2)C(F)(F)I)N

DOS

IR

Vibrations