Geometry & MOs

Info

ID:

428403

PubChem CID:

135167249

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

965.376999

ΔHf, kcal/mol:

269.94

Dipole, Da:

2.3

IP(EA), eV:

 -7.66(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1=C8C(=CC=C1)C71C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations