Geometry & MOs

Info

ID:

428866

PubChem CID:

135168314

Reduced:

N2H48C75 (1)

Stoich.:

A2B48C75 (1)

Weight, g/mol:

1012.38175

ΔHf, kcal/mol:

322.09

Dipole, Da:

2.27

IP(EA), eV:

 -8.0(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[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

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=CC1=CC=CC=C16)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations