Geometry & MOs

Info

ID:

428668

PubChem CID:

135167919

Reduced:

NH22C37 (2)

Stoich.:

AB22C37 (2)

Weight, g/mol:

960.350449

ΔHf, kcal/mol:

325.47

Dipole, Da:

0.74

IP(EA), eV:

 -7.83(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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)C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC3=C(C=C1)C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C21

DOS

IR

Vibrations