Geometry & MOs

Info

ID:

324649

PubChem CID:

126678053

Reduced:

ON2H26C46 (1)

Stoich.:

AB2C26D46 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

271.55

Dipole, Da:

4.23

IP(EA), eV:

 -8.05(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-10-phenyl-25-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C5=C(C=C4)OC6=CC=CC=C65)C7=C(C=C3)C8=CC=CC=C8N7C9=C1C=CC=C2C1=C(C=C9)C1=CC=CC=C12

DOS

IR

Vibrations