Geometry & MOs

Info

ID:

428669

PubChem CID:

135167920

Reduced:

NH22C37 (2)

Stoich.:

AB22C37 (2)

Weight, g/mol:

1055.423949

ΔHf, kcal/mol:

329.87

Dipole, Da:

1.26

IP(EA), eV:

 -7.93(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(E)-1-(3-methyl-1-phenylindol-2-yl)prop-1-en-2-yl]phenyl]-N-(9,9'-spirobi[fluorene]-2-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)C1=CC=CC=C71)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations