Geometry & MOs

Info

ID:

44748

PubChem CID:

10505724

Reduced:

NO7C29H29 (1)

Stoich.:

AB7C29D29 (1)

Weight, g/mol:

505.295394

ΔHf, kcal/mol:

-235.4

Dipole, Da:

3.33

IP(EA), eV:

 -9.74(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,9-bis(prop-2-enyl)-2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](COC(=O)C1=CC=C(C=C1)[14C](=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations