Geometry & MOs

Info

ID:	43290
PubChem CID:	10320782
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	435.274659
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	3.63
IP(EA), eV:	-8.54(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-aminopiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-2-(2-phenylethylamino)purin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H](OC3=CC=CC=C3O2)CNCCOC4=C(C=CC=C4OC)OC

DOS

IR

Vibrations