Geometry & MOs

Info

ID:	243862
PubChem CID:	99289476
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	3.46
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[3-(4-naphthalen-1-ylpiperidin-1-yl)-3-oxopropyl]-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC=CC=C2O)C(=O)N3CCC(CC3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations