Geometry & MOs

Info

ID:	370854
PubChem CID:	127341120
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	4.25
Dipole, Da:	4.72
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-ethyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)CN3CCCC(C3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations