Geometry & MOs

Info

ID:	432555
PubChem CID:	135172688
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	222.07529
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	6.17
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(7H-purin-6-yloxy)acetate

Drug info:

PubChemData

Smile

C1CNCC1OCC(=O)N2CCC(CC2)C(=O)CC3C4=CC=CC=C4C5=CN=CN35

DOS

IR

Vibrations