Geometry & MOs

Info

ID:	352020
PubChem CID:	127282938
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	5.19
IP(EA), eV:	-8.62(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations