Geometry & MOs

Info

ID:

324720

PubChem CID:

126678211

Reduced:

ON5H33C45 (1)

Stoich.:

AB5C33D45 (1)

Weight, g/mol:

657.252861

ΔHf, kcal/mol:

194.01

Dipole, Da:

2.23

IP(EA), eV:

 -8.23(-1.11)

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)-4-phenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)N3C4=C(C=C5C(=C4)C6=CC=CC=C6O5)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations