Geometry & MOs

Info

ID:

436725

PubChem CID:

135208218

Reduced:

ON3C26H39 (1)

Stoich.:

AB3C26D39 (1)

Weight, g/mol:

516.332508

ΔHf, kcal/mol:

-24.71

Dipole, Da:

5.73

IP(EA), eV:

 -8.36(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(methoxymethyl)-20,24-dimethyl-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene

Drug info:

PubChemData

Smile

C1CCCC(CC1)C2CNNC2N(C3CC4CCC3C4)C(=O)CCC5=CC=CC=C5

DOS

IR

Vibrations