Geometry & MOs

Info

ID:

324662

PubChem CID:

126678084

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

225.02

Dipole, Da:

5.67

IP(EA), eV:

 -7.9(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-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=C7O6)C8=C4C9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations