Geometry & MOs

Info

ID:

325074

PubChem CID:

126680111

Reduced:

ON5H31C45 (1)

Stoich.:

AB5C31D45 (1)

Weight, g/mol:

659.268511

ΔHf, kcal/mol:

198.26

Dipole, Da:

4.21

IP(EA), eV:

 -7.86(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC=CC=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)C8=C(N7C9=CC=CC=C9)C1=C(C=C8)OC2=CC=CC=C21

DOS

IR

Vibrations