Geometry & MOs

Info

ID:

323358

PubChem CID:

126674516

Reduced:

FNOH12C15 (1)

Stoich.:

ABCD12E15 (1)

Weight, g/mol:

1365.874673

ΔHf, kcal/mol:

-13.54

Dipole, Da:

3.21

IP(EA), eV:

-9.34(-0.86)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[31-(9H-fluoren-1-yl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1,3(22),4,6(18),8(17),9,11,13,15,19,23,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]dibenzofuran

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)OC2=CC=C(C=C2)C#N)F

DOS

IR

Vibrations