Geometry & MOs

Info

ID:	176587
PubChem CID:	76069480
Reduced:	N2O3C10H16 (2)
Stoich.:	A2B3C10D16 (2)
Weight, g/mol:	291.145715
ΔH_f, kcal/mol:	-272.08
Dipole, Da:	3.32
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-cyclopropyl-1-(2-oxopropyl)-7-propyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCCCCN1C=CN=C1

DOS

IR

Vibrations