Geometry & MOs

Info

ID:

325014

PubChem CID:

126679228

Reduced:

ON3H21C37 (1)

Stoich.:

AB3C21D37 (1)

Weight, g/mol:

724.251464

ΔHf, kcal/mol:

173.13

Dipole, Da:

5.55

IP(EA), eV:

 -8.2(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-(3-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=C(C=C1)N2C3=C(C4=C2C5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C#N)C8=C(C=C3)C9=CC=CC=C9O8

DOS

IR

Vibrations