Geometry & MOs

Info

ID:

174556

PubChem CID:

75783805

Reduced:

FSO2N3C20H23 (1)

Stoich.:

ABC2D3E20F23 (1)

Weight, g/mol:

322.190595

ΔHf, kcal/mol:

-46.11

Dipole, Da:

2.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.032819

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-phenyl-2-piperidin-1-ylethyl)-7H-purin-6-amine

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)CCC1=NC=C(O1)C2=CC=C(C=C2)F)C3=CC=CS3

DOS

IR

Vibrations