Geometry & MOs

Info

ID:

428448

PubChem CID:

135167364

Reduced:

N2H44C67 (1)

Stoich.:

A2B44C67 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

290.78

Dipole, Da:

1.5

IP(EA), eV:

 -7.8(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(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),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC8=C9C(=C7)C1(C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1N9C1=CC=CC=C18

DOS

IR

Vibrations