Geometry & MOs

Info

ID:	218185
PubChem CID:	85089003
Reduced:	ClN2O2C26H29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	441.227709
ΔH_f, kcal/mol:	-31.85
Dipole, Da:	4.91
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-methyl-2-(6-methylpyridin-2-yl)-8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CCC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations