Geometry & MOs

Info

ID:

441200

PubChem CID:

135233587

Reduced:

ON3H29C51 (1)

Stoich.:

AB3C29D51 (1)

Weight, g/mol:

396.255898

ΔHf, kcal/mol:

400.77

Dipole, Da:

5.28

IP(EA), eV:

 -8.55(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=C6C(=CC=C5)OC7=C6C=C(C=C7)C8=CC9=C(C=C8)C1=C(C#CC=C1)C1=CC=CC=C19

DOS

IR

Vibrations