Geometry & MOs

Info

ID:	172451
PubChem CID:	75511997
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	292.135782
ΔH_f, kcal/mol:	17.45
Dipole, Da:	3.93
IP(EA), eV:	-8.27(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dimethylthiomorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC(=NCCCCC2=CN(N=C2)C)N

DOS

IR

Vibrations