Geometry & MOs

Info

ID:	12312
PubChem CID:	134646
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	3.88
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCN4CCOCC4

DOS

IR

Vibrations