Geometry & MOs

Info

ID:

428080

PubChem CID:

135166003

Reduced:

N5H37C59 (1)

Stoich.:

A5B37C59 (1)

Weight, g/mol:

739.273596

ΔHf, kcal/mol:

316.02

Dipole, Da:

1.94

IP(EA), eV:

 -8.04(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C8=CC=CC=C8C9=CC=CC=C97)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations