Geometry & MOs

Info

ID:	221156
PubChem CID:	85257064
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-82.2
Dipole, Da:	3.4
IP(EA), eV:	-9.47(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CN1C(=O)C(NC(C12CC2)C(=O)OC)CC3=CC=CC=C3

DOS

IR

Vibrations