Geometry & MOs

Info

ID:	152144
PubChem CID:	56311011
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	466.269239
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	1.33
IP(EA), eV:	-8.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-7-ethyl-8-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations