Geometry & MOs

Info

ID:

428898

PubChem CID:

135168413

Reduced:

N2H46C71 (1)

Stoich.:

A2B46C71 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

295.97

Dipole, Da:

1.76

IP(EA), eV:

 -7.74(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-phenylphenyl)phenyl]-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(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)N6C7=CC=CC=C7C8=C6C(=CC=C8)C59C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C

DOS

IR

Vibrations