Geometry & MOs

Info

ID:	54010
PubChem CID:	14719476
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	322.175339
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	1.55
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CC(OC(C2)N3C=NC4=C(N=CN=C43)N)CO

DOS

IR

Vibrations