Geometry & MOs

Info

ID:

324704

PubChem CID:

126678165

Reduced:

ON4H36C52 (1)

Stoich.:

AB4C36D52 (1)

Weight, g/mol:

659.268511

ΔHf, kcal/mol:

210.4

Dipole, Da:

3.53

IP(EA), eV:

 -7.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazinan-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)C3=CC(=CC=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