Geometry & MOs

Info

ID:	365157
PubChem CID:	127316961
Reduced:	N6C17H24 (1)
Stoich.:	A6B17C24 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	85.14
Dipole, Da:	4.9
IP(EA), eV:	-8.53(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CN=CC(=N2)N3CCN(CC3)C4CCC4)C

DOS

IR

Vibrations