Geometry & MOs

Info

ID:

427784

PubChem CID:

135162825

Reduced:

NH17C28 (2)

Stoich.:

AB17C28 (2)

Weight, g/mol:

788.319149

ΔHf, kcal/mol:

356.05

Dipole, Da:

3.59

IP(EA), eV:

 -8.22(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C5=C(C6=CC=CC=C64)C7=C(C8=CC=CC=C85)C9=CC=CC=C9N7C1=CC=CC2=CC=CC=C21)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations