Geometry & MOs

Info

ID:

431879

PubChem CID:

135172000

Reduced:

N3H55C97 (1)

Stoich.:

A3B55C97 (1)

Weight, g/mol:

643.23

ΔHf, kcal/mol:

460.91

Dipole, Da:

5.11

IP(EA), eV:

 -7.96(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(6-fluoranthen-2-ylnaphthalen-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)C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=C(C=C2)C2=C(C3=CC=CC=C31)N(C1=CC=CC=C12)C1=CC=CC(=N1)C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations