Geometry & MOs

Info

ID:	9469
PubChem CID:	89791
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	3.89
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(benzylamino)ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3

DOS

IR

Vibrations