Geometry & MOs

Info

ID:

324719

PubChem CID:

126678206

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

659.268511

ΔHf, kcal/mol:

220.7

Dipole, Da:

2.94

IP(EA), eV:

 -7.96(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazinan-2-yl)-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=CC9=C1C(=C8)C=CC=C1C1=CC=CC=C19)C1=C(C=C4)OC2=CC=CC=C21

DOS

IR

Vibrations