Geometry & MOs

Info

ID:

324700

PubChem CID:

126678152

Reduced:

ON5H31C45 (1)

Stoich.:

AB5C31D45 (1)

Weight, g/mol:

733.284161

ΔHf, kcal/mol:

211.2

Dipole, Da:

3.5

IP(EA), eV:

 -7.88(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-5-phenyl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC=CC=C3)N4C5=C(C=CC6=C5N(C7=CC=CC=C67)C8=CC=CC=C8)C9=C4C1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations