Geometry & MOs

Info

ID:

438181

PubChem CID:

135227810

Reduced:

NH5C8 (9)

Stoich.:

AB5C8 (9)

Weight, g/mol:

1266.45944

ΔHf, kcal/mol:

420.7

Dipole, Da:

1.9

IP(EA), eV:

 -7.87(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=C4C7=C(C8=C6N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)N(C1=CC=CC=C17)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations