Geometry & MOs

Info

ID:

428068

PubChem CID:

135165926

Reduced:

N2H19C30 (2)

Stoich.:

A2B19C30 (2)

Weight, g/mol:

779.268511

ΔHf, kcal/mol:

295.23

Dipole, Da:

3.36

IP(EA), eV:

 -7.9(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(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=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=C8C=CC1=CC=CC=C19)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations