Geometry & MOs

Info

ID:

428345

PubChem CID:

135167052

Reduced:

N3H49C73 (1)

Stoich.:

A3B49C73 (1)

Weight, g/mol:

916.38175

ΔHf, kcal/mol:

328.87

Dipole, Da:

1.59

IP(EA), eV:

 -7.95(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-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)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC(=C4)N5C6C=CC=CC6C7=CC=CC=C75)C8=CC=CC=C8C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations