Geometry & MOs

Info

ID:

324609

PubChem CID:

126677985

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

209.96

Dipole, Da:

2.02

IP(EA), eV:

 -7.93(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-10-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C(C=C8)C1=CC=CC2=C1C9=CC=C2)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations