Geometry & MOs

Info

ID:	60224
PubChem CID:	26675935
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	439.201968
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	6.82
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations