Geometry & MOs

Info

ID:

428028

PubChem CID:

135165785

Reduced:

N5H31C49 (1)

Stoich.:

A5B31C49 (1)

Weight, g/mol:

689.257946

ΔHf, kcal/mol:

270.94

Dipole, Da:

2.84

IP(EA), eV:

 -7.78(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]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=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C6=CC=CC=C6C=C5)C7=C4C=CC8=C7C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations