Geometry & MOs

Info

ID:	161003
PubChem CID:	57390486
Reduced:	NC23H39 (1)
Stoich.:	AB23C39 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	1.39
IP(EA), eV:	-8.73(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-8-(2-pyridin-2-ylethylamino)purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)NC(C)C

DOS

IR

Vibrations