Geometry & MOs

Info

ID:

325023

PubChem CID:

126679290

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

774.267114

ΔHf, kcal/mol:

211.82

Dipole, Da:

3.62

IP(EA), eV:

 -8.02(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-naphthalen-1-yl-15-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C=CC1=C7C2=CC=CC=C2O1

DOS

IR

Vibrations