Geometry & MOs

Info

ID:

324636

PubChem CID:

126678027

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

220.11

Dipole, Da:

3.36

IP(EA), eV:

 -7.73(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-10-phenyl-18-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(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(C6=C4C=C7C8=CC=CC=C8N(C7=C6)C9=CC=CC=C9)C1=C(C=C5)OC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations