Geometry & MOs

Info

ID:	361876
PubChem CID:	127304870
Reduced:	SO4N5C17H29 (1)
Stoich.:	AB4C5D17E29 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	10.07
IP(EA), eV:	-8.91(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(morpholin-4-ylmethyl)piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)N2CCCCC2CN3CCOCC3

DOS

IR

Vibrations