Geometry & MOs

Info

ID:	193626
PubChem CID:	78414995
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	380.125133
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	3.0
IP(EA), eV:	-8.87(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)N=C2C=NC3=C(C2=O)C=CC(=C3)Cl

DOS

IR

Vibrations