Geometry & MOs

Info

ID:

441838

PubChem CID:

135245664

Reduced:

OF4N5H19C24 (1)

Stoich.:

AB4C5D19E24 (1)

Weight, g/mol:

837.408299

ΔHf, kcal/mol:

-24.45

Dipole, Da:

6.68

IP(EA), eV:

 -9.1(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-[3-(12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),3,6,9,13,15,17-octaen-12-yl)-5-benzo[c]carbazol-7-ylphenyl]-N-benzyl-3-[3-[(3Z,5Z)-hepta-3,5-dien-2-yl]phenyl]prop-1-en-1-amine

Drug info:

PubChemData

Smile

CN(CC(C1=C(C=C(C=C1)F)F)(C(C2=NC=C(C=C2)C#CC3=CC=CC=C3)(F)F)O)/N=N\N=C

DOS

IR

Vibrations