Geometry & MOs

Info

ID:	435410
PubChem CID:	135191389
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	267.133139
ΔH_f, kcal/mol:	-154.02
Dipole, Da:	6.11
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2R)-4-hydroxy-2-(hydroxymethyl)-2-methylbutyl]-3H-purin-6-one

Drug info:

PubChemData

Smile

COC1=CC\2=C(C=C1)C(=O)[C@@H](N(C/C=C2)CC3CC3)C4(CCC5(CC4)C(=O)NC(=O)N5)O

DOS

IR

Vibrations