Geometry & MOs

Info

ID:	445749
PubChem CID:	135269313
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	458.208469
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	10.03
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methyl]-8-(2-cyclohexylethoxy)-3-methyl-1-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN(CCCO)C(=O)C1=C(N=C(N1CC2=CC=CC=C2)OC3=CC=CC(=C3)OC)N(C)C=O

DOS

IR

Vibrations