Geometry & MOs

Info

ID:	79709
PubChem CID:	49830068
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	424.234865
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	7.61
IP(EA), eV:	-9.13(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-benzyl-7-cyclopentyl-2,6-dioxo-9H-purin-7-ium-1-yl)-N-butan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C=CC3=CC=CO3

DOS

IR

Vibrations