Geometry & MOs

Info

ID:

448839

PubChem CID:

135293952

Reduced:

F2O4N6C41H44 (1)

Stoich.:

A2B4C6D41E44 (1)

Weight, g/mol:

473.253923

ΔHf, kcal/mol:

-168.58

Dipole, Da:

13.45

IP(EA), eV:

 -9.21(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[8-[[(2R)-1-(8,9-dihydro-7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1NC(=O)C)C2=C(C(=CC(=C2)C(=O)NC3CC3CCC(C)(C)NC(=O)C4=CN=C(C=C4)C5=C(C(=CC(=C5)C(=O)NC6CC6)F)C)F)C

DOS

IR

Vibrations