Geometry & MOs

Info

ID:	169725
PubChem CID:	75141461
Reduced:	ClN4O4C21H27 (1)
Stoich.:	AB4C4D21E27 (1)
Weight, g/mol:	360.135304
ΔH_f, kcal/mol:	-136.36
Dipole, Da:	5.75
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-(2-methylpropyl)-7-prop-2-enyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(C)N1C=NC2C1C(=O)N(C(=O)N2C3=CC(=CC=C3)Cl)CCC(C)C

DOS

IR

Vibrations