Geometry & MOs

Info

ID:

431861

PubChem CID:

135171982

Reduced:

NH27C46 (1)

Stoich.:

AB27C46 (1)

Weight, g/mol:

593.21435

ΔHf, kcal/mol:

211.03

Dipole, Da:

2.6

IP(EA), eV:

 -7.99(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-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=C(C=C7)C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2

DOS

IR

Vibrations