Geometry & MOs

Info

ID:

431860

PubChem CID:

135171981

Reduced:

NH27C46 (1)

Stoich.:

AB27C46 (1)

Weight, g/mol:

593.21435

ΔHf, kcal/mol:

443.82

Dipole, Da:

2.34

IP(EA), eV:

 -7.95(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-fluoranthen-8-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(=C7)C8=C9C1=CC=CC=C1C1=CC=CC(=C19)C=C8

DOS

IR

Vibrations