Geometry & MOs

Info

ID:

428190

PubChem CID:

135166428

Reduced:

SN2H42C67 (1)

Stoich.:

AB2C42D67 (1)

Weight, g/mol:

890.329714

ΔHf, kcal/mol:

295.05

Dipole, Da:

2.32

IP(EA), eV:

 -8.01(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-dibenzofuran-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7S6)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations