Geometry & MOs

Info

ID:

428763

PubChem CID:

135168119

Reduced:

NH17C28 (3)

Stoich.:

AB17C28 (3)

Weight, g/mol:

964.38175

ΔHf, kcal/mol:

383.66

Dipole, Da:

2.98

IP(EA), eV:

 -8.11(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylfluoren-9-yl)phenyl]-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=C5C=C(C=C7)N(C8=CC=C(C=C8)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations