Geometry & MOs

Info

ID:	275037
PubChem CID:	103813319
Reduced:	ON2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	4.28
IP(EA), eV:	-9.09(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)N1CCN(CC1)CC(=O)NCCC)N

DOS

IR

Vibrations