Geometry & MOs

Info

ID:

428788

PubChem CID:

135168167

Reduced:

N3H45C74 (1)

Stoich.:

A3B45C74 (1)

Weight, g/mol:

1014.3974

ΔHf, kcal/mol:

347.09

Dipole, Da:

2.78

IP(EA), eV:

 -7.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-[4-(4-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]-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)N8C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations