Geometry & MOs

Info

ID:

436861

PubChem CID:

135212386

Reduced:

ON5H27C47 (1)

Stoich.:

AB5C27D47 (1)

Weight, g/mol:

321.126598

ΔHf, kcal/mol:

254.39

Dipole, Da:

5.45

IP(EA), eV:

 -8.26(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-methyl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=C4N7C8=C(C=C(C=C8)C9=C1C2=CC=CC=C2OC1=CC=C9)C1=CC=CC=C1C7=N6

DOS

IR

Vibrations