Geometry & MOs

Info

ID:

325422

PubChem CID:

126683190

Reduced:

NH16C24 (2)

Stoich.:

AB16C24 (2)

Weight, g/mol:

676.251464

ΔHf, kcal/mol:

226.15

Dipole, Da:

2.27

IP(EA), eV:

 -8.1(-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-phenylphenyl)dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=CC=CC=C4C=C3)C5=CC=CC(=C5)C6=CC=CC=C6N7C8=CC=CC9=C8C1=C(C=CC=C17)C=C9

DOS

IR

Vibrations