Geometry & MOs

Info

ID:	28739
PubChem CID:	829263
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	307.16444
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	5.49
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-8-morpholin-4-yl-7-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations