Geometry & MOs

Info

ID:	176435
PubChem CID:	76049104
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	336.167179
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	3.82
IP(EA), eV:	-9.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-3,7-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C(C)OCC2=CC=CC=C2)C

DOS

IR

Vibrations