Geometry & MOs

Info

ID:	356721
PubChem CID:	127292202
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	371.243359
ΔH_f, kcal/mol:	5.44
Dipole, Da:	4.9
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)NC3CCN(C3)C4CCCC4

DOS

IR

Vibrations