Geometry & MOs

Info

ID:	196444
PubChem CID:	78827300
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	436.177837
ΔH_f, kcal/mol:	-194.13
Dipole, Da:	6.94
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCNC(=O)C1=CC=C(O1)COC

DOS

IR

Vibrations