Geometry & MOs

Info

ID:

428346

PubChem CID:

135167053

Reduced:

NH24C35 (2)

Stoich.:

AB24C35 (2)

Weight, g/mol:

850.334799

ΔHf, kcal/mol:

281.76

Dipole, Da:

1.79

IP(EA), eV:

 -7.87(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)phenyl]-N-(2-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

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=CC=C7C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations