Geometry & MOs

Info

ID:

324621

PubChem CID:

126678010

Reduced:

ON2H34C58 (1)

Stoich.:

AB2C34D58 (1)

Weight, g/mol:

729.252861

ΔHf, kcal/mol:

225.32

Dipole, Da:

1.83

IP(EA), eV:

 -7.97(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-25-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6C8=CC=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C2=CC=CC=C21)C=CC1=C7OC2=CC=CC=C12

DOS

IR

Vibrations