Geometry & MOs

Info

ID:

378666

PubChem CID:

134224760

Reduced:

NF3C11H14 (1)

Stoich.:

AB3C11D14 (1)

Weight, g/mol:

775.262363

ΔHf, kcal/mol:

-154.72

Dipole, Da:

5.71

IP(EA), eV:

 -10.37(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-2-(16-phenylspiro[16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene-12,9'-fluorene]-19-yl)-[1]benzofuro[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCCC(C)C1=CN=C(C=C1)C(F)(F)F

DOS

IR

Vibrations