Geometry & MOs

Info

ID:	367169
PubChem CID:	127323585
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	369.183461
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	3.51
IP(EA), eV:	-9.54(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)NC2CCC3=NC(=NN3C2)CC

DOS

IR

Vibrations