Geometry & MOs

Info

ID:	370847
PubChem CID:	127341113
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	54.06
Dipole, Da:	3.11
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2CCCN(C2=O)C3=CC=CC=C3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations