Geometry & MOs

Info

ID:	363190
PubChem CID:	127310258
Reduced:	N3C9H10 (2)
Stoich.:	A3B9C10 (2)
Weight, g/mol:	329.160023
ΔH_f, kcal/mol:	87.41
Dipole, Da:	6.12
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-imidazol-1-ylpiperidin-1-yl)-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=NC=C2)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations