Geometry & MOs

Info

ID:

447053

PubChem CID:

135279853

Reduced:

NH11C17 (2)

Stoich.:

AB11C17 (2)

Weight, g/mol:

342.115698

ΔHf, kcal/mol:

141.36

Dipole, Da:

3.55

IP(EA), eV:

 -7.71(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,23-diazaheptacyclo[12.10.2.12,6.011,25.018,26.019,24.010,27]heptacosa-2,4,6(27),7,9,11(25),12,14(26),15,17,19(24),20,22-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC7=C6C(=CC=C7)N5)C8=CC=CC=C82

DOS

IR

Vibrations