Geometry & MOs

Info

ID:

447707

PubChem CID:

135284950

Reduced:

FO5N6C23H23 (1)

Stoich.:

AB5C6D23E23 (1)

Weight, g/mol:

728.332233

ΔHf, kcal/mol:

-140.35

Dipole, Da:

7.56

IP(EA), eV:

 -9.01(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-formyl-3-[2-(4-methoxyphenyl)ethoxy]-8-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=C(C=C(C=C2)F)C(=C1C(=O)O)OCC3CCCN3C4=NC=NC5=C4NC=N5

DOS

IR

Vibrations