Geometry & MOs

Info

ID:

325032

PubChem CID:

126679318

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

222.38

Dipole, Da:

4.07

IP(EA), eV:

 -7.82(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C=C7C(=C6)C8=CC=CC=C8N7C9=CC=CC=C9)C1=C5C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations