Geometry & MOs

Info

ID:	349642
PubChem CID:	127275794
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	359.175753
ΔH_f, kcal/mol:	-0.48
Dipole, Da:	2.72
IP(EA), eV:	-9.47(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations