Geometry & MOs

Info

ID:

324625

PubChem CID:

126678014

Reduced:

ON4H32C46 (1)

Stoich.:

AB4C32D46 (1)

Weight, g/mol:

724.251464

ΔHf, kcal/mol:

184.83

Dipole, Da:

2.57

IP(EA), eV:

 -8.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-4-(4-triphenylen-2-ylphenyl)-24-oxa-4,15-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)C2C=C(NC(N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)N(C7=C6C8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations