Geometry & MOs

Info

ID:	352100
PubChem CID:	127283168
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	4.25
IP(EA), eV:	-8.52(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N(C)CC3CCN(CC3)C

DOS

IR

Vibrations