Geometry & MOs

Info

ID:

324623

PubChem CID:

126678012

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

220.17

Dipole, Da:

5.03

IP(EA), eV:

 -8.09(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),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=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C=C1C(=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations