Geometry & MOs

Info

ID:

325030

PubChem CID:

126679314

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

224.57

Dipole, Da:

5.03

IP(EA), eV:

 -7.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-25-phenyl-11-oxa-15,25-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=C(C=C3)N4C5=C(C=CC6=C5C7=CC=CC=C7N6C8=CC=CC=C8)C9=C4C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations