Geometry & MOs

Info

ID:	60222
PubChem CID:	26675931
Reduced:	O5N6C24H30 (1)
Stoich.:	A5B6C24D30 (1)
Weight, g/mol:	439.201968
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	6.14
IP(EA), eV:	-8.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dibutyl-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations