Geometry & MOs

Info

ID:

428885

PubChem CID:

135168342

Reduced:

NH22C35 (2)

Stoich.:

AB22C35 (2)

Weight, g/mol:

928.38175

ΔHf, kcal/mol:

311.82

Dipole, Da:

0.54

IP(EA), eV:

 -8.08(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations