Geometry & MOs

Info

ID:	169665
PubChem CID:	75133742
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	334.187915
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	4.23
IP(EA), eV:	-9.08(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(=O)C2=CC3=NC(=S)N(C(=O)C3C=C2)C

DOS

IR

Vibrations