Geometry & MOs

Info

ID:

428870

PubChem CID:

135168318

Reduced:

N2H48C75 (1)

Stoich.:

A2B48C75 (1)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

313.98

Dipole, Da:

1.94

IP(EA), eV:

 -7.87(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-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=C(C3=CC=CC=C31)C(=CC=C2)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