Geometry & MOs

Info

ID:	192992
PubChem CID:	78334185
Reduced:	ClN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	376.202302
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	2.72
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(ethylamino)ethylamino]-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(=O)C3=C(O2)C(=O)N(C3C4=CC=CC=N4)CCCO

DOS

IR

Vibrations