Geometry & MOs

Info

ID:	216854
PubChem CID:	85086884
Reduced:	NO6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	309.143704
ΔH_f, kcal/mol:	-227.28
Dipole, Da:	4.42
IP(EA), eV:	-9.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-(2-hydroxyethoxymethyl)-6-oxo-5H-purin-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

COCC1C(C(C(=O)O1)NC(=O)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations