Geometry & MOs

Info

ID:	54008
PubChem CID:	14719465
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	307.16444
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	13.09
IP(EA), eV:	-8.99(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-tert-butyl-6-(hydroxymethyl)morpholin-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C[C@H](O[C@H](C2)N3C=NC4=C3NC=NC4=O)CO

DOS

IR

Vibrations