Geometry & MOs

Info

ID:

325418

PubChem CID:

126683182

Reduced:

ON2H28C44 (1)

Stoich.:

AB2C28D44 (1)

Weight, g/mol:

762.303499

ΔHf, kcal/mol:

181.0

Dipole, Da:

1.52

IP(EA), eV:

 -8.11(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=C4C5=CC=CC=C5OC4=CC=C3)C6=CC=CC(=C6)N7C8=CC=CC9=C8C1=C(C=CC=C17)C=C9

DOS

IR

Vibrations