Geometry & MOs

Info

ID:

428681

PubChem CID:

135167932

Reduced:

N3H49C80 (1)

Stoich.:

A3B49C80 (1)

Weight, g/mol:

888.350449

ΔHf, kcal/mol:

362.77

Dipole, Da:

1.13

IP(EA), eV:

 -7.97(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations