Geometry & MOs

Info

ID:

386890

PubChem CID:

134983276

Reduced:

OSiC39H54 (1)

Stoich.:

ABC39D54 (1)

Weight, g/mol:

388.193949

ΔHf, kcal/mol:

-67.99

Dipole, Da:

2.53

IP(EA), eV:

 -8.88(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-11,21-diazahexacyclo[19.6.1.14,11.114,18.05,10.022,27]triaconta-1(28),2,4(30),5,7,9,14,16,18(29),22,24,26-dodecaene

Drug info:

PubChemData

Smile

C/C/1=C\CC/C(=C/C[C@@]2([C@@H](CCC2=C)C/C=C(/C(CC1)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)\C)C)/C

DOS

IR

Vibrations