Geometry & MOs

Info

ID:	335667
PubChem CID:	127254529
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	2.06
Dipole, Da:	3.93
IP(EA), eV:	-8.65(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]butyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=NC=CN2

DOS

IR

Vibrations