Geometry & MOs

Info

ID:	188632
PubChem CID:	77745745
Reduced:	N4O5C11H20 (1)
Stoich.:	A4B5C11D20 (1)
Weight, g/mol:	463.279469
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	8.74
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-5-[2-(nonylamino)-6-oxo-5H-purin-9-yl]oxolan-2-yl]methyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCO)[N+](=O)[O-].CC(C)C(C(=O)O)N

DOS

IR

Vibrations