Geometry & MOs

Info

ID:	192024
PubChem CID:	78215033
Reduced:	ClO2N5C13H14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	335.114903
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	5.11
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chlorophenyl)methyl]-8-(ethylamino)-3-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)N)CC3=CC=CC=C3Cl

DOS

IR

Vibrations