Geometry & MOs

Info

ID:

325417

PubChem CID:

126683181

Reduced:

N2H38C57 (1)

Stoich.:

A2B38C57 (1)

Weight, g/mol:

600.220164

ΔHf, kcal/mol:

265.61

Dipole, Da:

0.81

IP(EA), eV:

 -8.09(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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-(4-phenylphenyl)dibenzofuran-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC(=C3)N4C5=CC=CC6=C5C7=C(C=CC=C74)C=C6)C8=CC=CC9=C8C1=CC=CC=C1C9(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations