Geometry & MOs

Info

ID:

324586

PubChem CID:

126677941

Reduced:

ON5H31C45 (1)

Stoich.:

AB5C31D45 (1)

Weight, g/mol:

657.252861

ΔHf, kcal/mol:

207.49

Dipole, Da:

4.1

IP(EA), eV:

 -7.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-10-phenyl-18-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)N3C4=C(C5=C3C=CC6=C5C7=CC=CC=C7N6C8=CC=CC=C8)C9=C(C=C4)C1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations