Geometry & MOs

Info

ID:

325031

PubChem CID:

126679315

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

733.284161

ΔHf, kcal/mol:

219.36

Dipole, Da:

4.69

IP(EA), eV:

 -7.82(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-5-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC=C(C=C3)N4C5=C(C=C6C(=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=C4C=C1C(=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations