Geometry & MOs

Info

ID:

324631

PubChem CID:

126678021

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

225.36

Dipole, Da:

4.3

IP(EA), eV:

 -7.95(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC=C(C=C3)N4C5=C(C6=C4C=CC7=C6OC8=CC=CC=C78)C9=C(C=C5)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations