Geometry & MOs

Info

ID:

428473

PubChem CID:

135167418

Reduced:

N2H38C59 (1)

Stoich.:

A2B38C59 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

265.69

Dipole, Da:

0.9

IP(EA), eV:

 -8.1(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6(C7=CC=CC=C75)C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C6=CC=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations