Geometry & MOs

Info

ID:

324585

PubChem CID:

126677937

Reduced:

ON4H36C52 (1)

Stoich.:

AB4C36D52 (1)

Weight, g/mol:

657.252861

ΔHf, kcal/mol:

214.78

Dipole, Da:

3.27

IP(EA), eV:

 -7.89(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-10-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)C2C=C(NC(N2)C3=CC(=CC=C3)N4C5=C(C6=C4C7=C(C=C6)C8=CC=CC=C8O7)C9=C(C=C5)C1=CC=CC=C1N9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations