Geometry & MOs

Info

ID:	31918
PubChem CID:	3723350
Reduced:	O2N3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	2.59
IP(EA), eV:	-9.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(CC(=O)N1)C=NO)C#N

DOS

IR

Vibrations