Geometry & MOs

Info

ID:

428672

PubChem CID:

135167923

Reduced:

N2H50C79 (1)

Stoich.:

A2B50C79 (1)

Weight, g/mol:

1012.38175

ΔHf, kcal/mol:

345.57

Dipole, Da:

0.79

IP(EA), eV:

 -7.81(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-triphenylen-2-ylspiro[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=CC=C(C=C5)C6C7=CC=CC=C7C8=CC=CC=C68)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations