Geometry & MOs

Info

ID:	27765
PubChem CID:	823472
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	2.63
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-(methylamino)-7-(3-methylbutyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C)(C)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations