Geometry & MOs

Info

ID:	174952
PubChem CID:	75837736
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	12.17
Dipole, Da:	3.11
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-7-ethyl-8-[[2-(3-methylphenyl)pyrrolidin-1-yl]methyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC[NH+]2CCCC(C2C1)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations