Geometry & MOs

Info

ID:

299437

PubChem CID:

117682962

Reduced:

N2H16C25 (2)

Stoich.:

A2B16C25 (2)

Weight, g/mol:

855.336196

ΔHf, kcal/mol:

246.99

Dipole, Da:

1.35

IP(EA), eV:

 -8.04(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-N,21-N,26-N,26-N,8,11-hexakis-phenyl-2,11,16-triazaheptacyclo[15.12.0.03,15.04,12.05,10.018,23.024,29]nonacosa-1,3(15),4(12),5(10),6,8,13,16,18(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=CC=CC=C53)C6=C(C=C4)N=C7C8=CC=CC=C8C9=C(C7=N6)C=CC(=C9)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations