Geometry & MOs

Info

ID:

324655

PubChem CID:

126678072

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

218.24

Dipole, Da:

0.74

IP(EA), eV:

 -8.02(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-4-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C6=C(C=C5)OC7=CC=CC=C76)C8=C(C=C4)C9=CC=CC=C9N8C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations