Geometry & MOs

Info

ID:	54007
PubChem CID:	14719458
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	12.48
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,6S)-4-cyclohexyl-6-(hydroxymethyl)morpholin-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCCCCN1CC(OC(C1)N2C=NC3=C2NC=NC3=O)CO

DOS

IR

Vibrations