Geometry & MOs

Info

ID:

431878

PubChem CID:

135171999

Reduced:

ON3C11H18 (2)

Stoich.:

AB3C11D18 (2)

Weight, g/mol:

1262.442954

ΔHf, kcal/mol:

-40.92

Dipole, Da:

3.29

IP(EA), eV:

 -8.49(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-[4-[3-(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-dodecaen-9-yl)-5-fluoranthen-2-ylphenyl]phenyl]-9-(6-fluoranthen-2-ylpyridin-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(23),19,21,24-dodecaene

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NN(N=N2)C(C)C

DOS

IR

Vibrations