Geometry & MOs

Info

ID:

428834

PubChem CID:

135168282

Reduced:

N3H49C74 (1)

Stoich.:

A3B49C74 (1)

Weight, g/mol:

966.3974

ΔHf, kcal/mol:

405.69

Dipole, Da:

2.53

IP(EA), eV:

 -8.06(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3C=CC=CC3C4=C2C=CC=C4N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations