Geometry & MOs

Info

ID:

431882

PubChem CID:

135172003

Reduced:

NH29C50 (1)

Stoich.:

AB29C50 (1)

Weight, g/mol:

643.23

ΔHf, kcal/mol:

228.9

Dipole, Da:

2.92

IP(EA), eV:

 -7.98(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-fluoranthen-2-ylnaphthalen-1-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=C(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC3=C2C1=CC=C3

DOS

IR

Vibrations