Geometry & MOs

Info

ID:	353640
PubChem CID:	127285217
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	334.175339
ΔH_f, kcal/mol:	-92.17
Dipole, Da:	2.52
IP(EA), eV:	-9.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1-acetylpiperidin-4-yl)methylamino]-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCC(CC2)N3CCCC3=O

DOS

IR

Vibrations