Geometry & MOs

Info

ID:

428791

PubChem CID:

135168170

Reduced:

N3H49C80 (1)

Stoich.:

A3B49C80 (1)

Weight, g/mol:

938.366099

ΔHf, kcal/mol:

366.01

Dipole, Da:

1.59

IP(EA), eV:

 -8.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-(2-phenylphenyl)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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C6=CC=CC=C46)C(=CC=C5)N(C7=CC=C(C=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations