Geometry & MOs

Info

ID:

428051

PubChem CID:

135165877

Reduced:

N5H31C49 (1)

Stoich.:

A5B31C49 (1)

Weight, g/mol:

765.289246

ΔHf, kcal/mol:

271.78

Dipole, Da:

1.92

IP(EA), eV:

 -8.06(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

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=C6C=CC8=CC=CC=C87)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations