Geometry & MOs

Info

ID:

431863

PubChem CID:

135171984

Reduced:

N2H26C45 (1)

Stoich.:

A2B26C45 (1)

Weight, g/mol:

593.21435

ΔHf, kcal/mol:

318.08

Dipole, Da:

2.52

IP(EA), eV:

 -8.06(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-fluoranthen-2-ylphenyl)-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(=N7)C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2

DOS

IR

Vibrations