Geometry & MOs

Info

ID:

427792

PubChem CID:

135163034

Reduced:

ON2H42C54 (1)

Stoich.:

AB2C42D54 (1)

Weight, g/mol:

558.209599

ΔHf, kcal/mol:

173.11

Dipole, Da:

4.61

IP(EA), eV:

 -7.69(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

Drug info:

PubChemData

Smile

C1CC2=C3CCC4=CC=CC=C4C3=C5C6=CC=CC=C6N(C5=C2C=C1)C7=CC=C(C=C7)N(C8=CC=C(CC8)C9=CC=CC=C9)C1=CC2=C(C=C1)OC1C2C=CC=C1

DOS

IR

Vibrations