Geometry & MOs

Info

ID:

136120

PubChem CID:

51983151

Reduced:

ClN5C13H21 (1)

Stoich.:

AB5C13D21 (1)

Weight, g/mol:

312.169859

ΔHf, kcal/mol:

45.39

Dipole, Da:

5.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752467

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

C1CCC(C1)[NH+]2CCN(CC2)C3=CC(=NC(=N3)N)Cl

DOS

IR

Vibrations