Geometry & MOs

Info

ID:

325034

PubChem CID:

126679323

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

733.284161

ΔHf, kcal/mol:

300.81

Dipole, Da:

4.64

IP(EA), eV:

 -7.89(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-19-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC=C(C=C3)N4C5=C(C=C6C7=CC=CC=C7OC6=C5)C8=C4C9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations