Geometry & MOs

Info

ID:

431862

PubChem CID:

135171983

Reduced:

NH27C46 (1)

Stoich.:

AB27C46 (1)

Weight, g/mol:

594.209599

ΔHf, kcal/mol:

374.19

Dipole, Da:

3.68

IP(EA), eV:

 -7.9(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(6-fluoranthen-8-ylpyridin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC=CC(=C7)C8=CC9=C1C(=C8)C=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations