Geometry & MOs

Info

ID:	234086
PubChem CID:	92297686
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	345.143704
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	3.84
IP(EA), eV:	-10.36(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N)C(C)(C)C

DOS

IR

Vibrations