Geometry & MOs

Info

ID:

325005

PubChem CID:

126679178

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

241.5

Dipole, Da:

3.85

IP(EA), eV:

 -7.9(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-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)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=C(N6C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C(C=C7)C2=CC=CC=C2O1

DOS

IR

Vibrations