Geometry & MOs

Info

ID:	169724
PubChem CID:	75141460
Reduced:	ClN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	434.172083
ΔH_f, kcal/mol:	-132.18
Dipole, Da:	5.84
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(3-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-4,5-dihydropurin-7-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=NC2C1C(=O)N(C(=O)N2C3=CC(=CC=C3)Cl)CCC(C)C

DOS

IR

Vibrations