Geometry & MOs

Info

ID:

44841

PubChem CID:

10506124

Reduced:

NOF6H27C29 (1)

Stoich.:

ABC6D27E29 (1)

Weight, g/mol:

519.311044

ΔHf, kcal/mol:

-297.2

Dipole, Da:

5.02

IP(EA), eV:

 -9.08(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,1-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)piperidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations