Geometry & MOs

Info

ID:

428999

PubChem CID:

135168653

Reduced:

NH24C37 (2)

Stoich.:

AB24C37 (2)

Weight, g/mol:

1040.41305

ΔHf, kcal/mol:

326.22

Dipole, Da:

1.4

IP(EA), eV:

 -8.03(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N-(3-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)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC=CC(=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations