Geometry & MOs

Info

ID:

325424

PubChem CID:

126683192

Reduced:

N2H44C67 (1)

Stoich.:

A2B44C67 (1)

Weight, g/mol:

762.303499

ΔHf, kcal/mol:

303.66

Dipole, Da:

0.54

IP(EA), eV:

 -7.98(-0.77)

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(4-naphthalen-1-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC(=CC=C6)N7C8=CC=CC9=C8C1=C(C=CC=C17)C=C9)C1=CC=C(C=C1)C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations