Geometry & MOs

Info

ID:

428837

PubChem CID:

135168285

Reduced:

N3H53C80 (1)

Stoich.:

A3B53C80 (1)

Weight, g/mol:

864.350449

ΔHf, kcal/mol:

418.27

Dipole, Da:

1.66

IP(EA), eV:

 -8.11(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-naphthalen-2-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

C1=CC=C(C=C1)C2(C3C=CC=CC3C4=C2C=CC=C4N(C5=CC=C(C=C5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations