Geometry & MOs

Info

ID:	169699
PubChem CID:	75139286
Reduced:	ClN4O5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	500.197904
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	7.75
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)-3-(4-propan-2-ylphenyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)CN2C=NC3C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)CC5CCCO5

DOS

IR

Vibrations