Geometry & MOs

Info

ID:

324639

PubChem CID:

126678031

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

731.268511

ΔHf, kcal/mol:

227.26

Dipole, Da:

2.79

IP(EA), eV:

 -8.15(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-15-phenyl-5-oxa-15,24-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)C2=CC=C(C=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6N5C7=C8C=CC=C9C8=C(C=C7)C1=CC=CC=C19)C1=C3C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations