Geometry & MOs

Info

ID:	443241
PubChem CID:	135258258
Reduced:	O2N7C10H13 (1)
Stoich.:	A2B7C10D13 (1)
Weight, g/mol:	393.201219
ΔH_f, kcal/mol:	38.98
Dipole, Da:	3.34
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]octanamide

Drug info:

PubChemData

Smile

C1C(C(OC1C2NN2)N3C=NC4=C(N=CN=C43)N)O

DOS

IR

Vibrations