Geometry & MOs

Info

ID:	14380
PubChem CID:	410508
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-6.91
Dipole, Da:	11.65
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-octyl-3H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCCCCN1C=NC2=C1NC(=NC2=O)N

DOS

IR

Vibrations