Geometry & MOs

Info

ID:

428938

PubChem CID:

135168463

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

928.38175

ΔHf, kcal/mol:

404.61

Dipole, Da:

2.45

IP(EA), eV:

 -8.06(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)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=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76)C8=CC9=C1C(=C8)C2(C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C2N1C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations