Geometry & MOs

Info

ID:

428305

PubChem CID:

135166890

Reduced:

SN2H42C65 (1)

Stoich.:

AB2C42D65 (1)

Weight, g/mol:

850.334799

ΔHf, kcal/mol:

294.17

Dipole, Da:

1.13

IP(EA), eV:

 -8.02(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-phenylphenyl)phenyl]-N-(4-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'-ylphenyl)naphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=C(C6=CC=CC=C64)C(=CC=C5)N(C7=CC=CC=C7C8=CC=CC=C8C9=CC=CC1=CC=CC=C19)C1=CC=CC3=C1SC1=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations