Geometry & MOs

Info

ID:

428972

PubChem CID:

135168557

Reduced:

NH21C33 (2)

Stoich.:

AB21C33 (2)

Weight, g/mol:

938.366099

ΔHf, kcal/mol:

295.89

Dipole, Da:

1.84

IP(EA), eV:

 -7.87(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)N7C8=CC=CC=C8C9(C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC6=C17)C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations