Geometry & MOs

Info

ID:	368097
PubChem CID:	127327473
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	3.59
IP(EA), eV:	-9.14(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-[[1-(1-phenylethyl)piperidin-4-yl]amino]purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)NCCN3C(=O)CCC3=O

DOS

IR

Vibrations