Geometry & MOs

Info

ID:

428810

PubChem CID:

135168189

Reduced:

N3H49C80 (1)

Stoich.:

A3B49C80 (1)

Weight, g/mol:

910.334799

ΔHf, kcal/mol:

366.35

Dipole, Da:

0.49

IP(EA), eV:

 -7.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-2-yl-N-(9,9'-spirobi[fluorene]-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C12

DOS

IR

Vibrations