Geometry & MOs

Info

ID:

449700

PubChem CID:

135300747

Reduced:

NOH71C91 (1)

Stoich.:

ABC71D91 (1)

Weight, g/mol:

995.37633

ΔHf, kcal/mol:

475.35

Dipole, Da:

2.23

IP(EA), eV:

 -7.86(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-46-oxatridecacyclo[28.14.1.122,25.01,32.02,15.03,8.09,14.015,45.017,30.018,23.024,29.033,38.039,44]hexatetraconta-3,5,7,9,11,13,18(23),19,21,24,26,28,33,35,37,39,41,43-octadecaen-28-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=C6C7=C(C=C5)C89CC(CC12C8C3(CC(C9)C4=CC=CC=C4C4=CC=CC=C43)CC(C1)C1=CC=CC=C1C1=CC=CC=C21)C1=C7C(=CC=C1)O6)C1=CC2=C(C=C1)C1=C(C2(C)C)C=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations