Geometry & MOs

Info

ID:

428696

PubChem CID:

135167947

Reduced:

NH22C35 (2)

Stoich.:

AB22C35 (2)

Weight, g/mol:

1103.423949

ΔHf, kcal/mol:

310.55

Dipole, Da:

0.68

IP(EA), eV:

 -7.82(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-[4-(9-phenylcarbazol-3-yl)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=C(C=C1)C2(C3=C(C4=C2C=C(C=C4)N(C5=CC6=CC=CC=C6C=C5)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations