Geometry & MOs

Info

ID:	370845
PubChem CID:	127341096
Reduced:	ClON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	382.157581
ΔH_f, kcal/mol:	47.13
Dipole, Da:	2.14
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2CCN(C2=O)C3=CC=CC=C3Cl)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations