Geometry & MOs

Info

ID:	19242
PubChem CID:	558776
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	3.22
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-hydroxy-3-(piperidin-1-ylmethylideneamino)propyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN=CN3CCCCC3)O

DOS

IR

Vibrations