Geometry & MOs

Info

ID:

315974

PubChem CID:

126629520

Reduced:

N3H41C67 (1)

Stoich.:

A3B41C67 (1)

Weight, g/mol:

878.366099

ΔHf, kcal/mol:

315.32

Dipole, Da:

1.54

IP(EA), eV:

 -8.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,11,11',11'-tetramethyl-15,15'-diphenyl-18,18'-spirobi[15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=CC5=C4C6(C7=CC=CC=C7C8=C6C9=C(C=C8)C1=CC=CC=C1N9C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C51)C1=CC=CC=C1

DOS

IR

Vibrations