Geometry & MOs

Info

ID:

324683

PubChem CID:

126678131

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

809.315461

ΔHf, kcal/mol:

222.68

Dipole, Da:

1.64

IP(EA), eV:

 -7.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=C(N5C7=CC=CC=C7)C=CC8=C6OC9=C8C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations