Geometry & MOs

Info

ID:

446443

PubChem CID:

135275010

Reduced:

ON3H14C15 (2)

Stoich.:

AB3C14D15 (2)

Weight, g/mol:

534.235494

ΔHf, kcal/mol:

89.76

Dipole, Da:

9.17

IP(EA), eV:

 -8.34(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-imidazo[1,2-a]pyridin-3-yl-4-[10-(piperidin-1-ylmethyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

C#CC1=CC2=C3C(=C1)C(=CN3CCN(C2)C(=O)N4CCCCC4)C5=C(CNC5=O)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations