Geometry & MOs

Info

ID:

324681

PubChem CID:

126678125

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

733.284161

ΔHf, kcal/mol:

225.4

Dipole, Da:

2.33

IP(EA), eV:

 -7.85(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-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(10),6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C5C(=C6C(=C4)C7=C(N6C8=CC=CC=C8)C=CC9=C7OC1=CC=CC=C91)C1=CC=CC=C1N5C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations