Geometry & MOs

Info

ID:

428659

PubChem CID:

135167910

Reduced:

N3H49C80 (1)

Stoich.:

A3B49C80 (1)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

445.48

Dipole, Da:

2.37

IP(EA), eV:

 -8.06(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-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)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N(C7=CC=C(C=C7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations