Geometry & MOs

Info

ID:

325423

PubChem CID:

126683191

Reduced:

ON2H32C50 (1)

Stoich.:

AB2C32D50 (1)

Weight, g/mol:

876.350449

ΔHf, kcal/mol:

203.81

Dipole, Da:

0.51

IP(EA), eV:

 -8.08(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC(=CC=C4)N5C6=CC=CC7=C6C8=C(C=CC=C85)C=C7)C9=CC1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations