Geometry & MOs

Info

ID:

428924

PubChem CID:

135168440

Reduced:

ON2H44C74 (1)

Stoich.:

AB2C44D74 (1)

Weight, g/mol:

964.38175

ΔHf, kcal/mol:

306.36

Dipole, Da:

1.75

IP(EA), eV:

 -7.86(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-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]-10-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)C8=CC=CC9=C8OC1=CC=CC=C91)C1=CC2=C3C(=C1)C1(C4=CC=CC=C4C4=CC=CC=C41)C1=CC=CC=C1N3C1=CC=CC=C12

DOS

IR

Vibrations