Geometry & MOs

Info

ID:

299433

PubChem CID:

117682957

Reduced:

NH10C16 (4)

Stoich.:

AB10C16 (4)

Weight, g/mol:

855.336196

ΔHf, kcal/mol:

303.69

Dipole, Da:

1.32

IP(EA), eV:

 -8.07(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-N,21-N,26-N,26-N-tetraphenyl-11-(4-phenylphenyl)-2,11,16-triazaheptacyclo[15.12.0.03,15.04,12.05,10.018,23.024,29]nonacosa-1,3(15),4(12),5,7,9,13,16,18(23),19,21,24(29),25,27-tetradecaene-21,26-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C=C(C=C5)C6=CC=CC=C6)C7=C(C=C4)N=C8C9=CC=CC=C9C1=C(C8=N7)C=CC(=C1)N(C1=CC2=CC=CC=C2C=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations