Geometry & MOs

Info

ID:

378765

PubChem CID:

134224862

Reduced:

ON3H29C51 (1)

Stoich.:

AB3C29D51 (1)

Weight, g/mol:

652.287849

ΔHf, kcal/mol:

228.45

Dipole, Da:

3.71

IP(EA), eV:

 -8.08(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,12-dimethyl-N,N,14,24-tetraphenyl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC=C4OC3=NC(=N2)C5=CC6=C(C=C5)C7=CC8=C(C=C7N6)C9(C1=C8C2=CC=CC=C2C=C1)C1=CC=CC=C1C1=CC=CC=C91

DOS

IR

Vibrations