Geometry & MOs

Info

ID:

324616

PubChem CID:

126677999

Reduced:

ON5H31C51 (1)

Stoich.:

AB5C31D51 (1)

Weight, g/mol:

598.204513

ΔHf, kcal/mol:

246.49

Dipole, Da:

3.29

IP(EA), eV:

 -7.86(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-naphthalen-1-yl-15-naphthalen-2-yl-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=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C6=C4C=C7C(=C6)C8=CC=CC=C8O7)C9=C(C=C5)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations