Geometry & MOs

Info

ID:

299444

PubChem CID:

117682970

Reduced:

N7H33C53 (1)

Stoich.:

A7B33C53 (1)

Weight, g/mol:

1010.384544

ΔHf, kcal/mol:

309.6

Dipole, Da:

1.35

IP(EA), eV:

 -8.12(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-N,21-N,26-N,26-N,7-pentakis-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=NC(=NC(=N2)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)C1=CC=CC=C1

DOS

IR

Vibrations