Geometry & MOs

Info

ID:	360354
PubChem CID:	127300997
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	399.201888
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-oxopropyl]-3-methyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C

DOS

IR

Vibrations