Geometry & MOs

Info

ID:	370853
PubChem CID:	127341119
Reduced:	ON6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	84.28
Dipole, Da:	4.81
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-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=C(C=C3)C#N)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations