Geometry & MOs

Info

ID:	366674
PubChem CID:	127320203
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	372.202222
ΔH_f, kcal/mol:	8.79
Dipole, Da:	6.9
IP(EA), eV:	-8.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations