Geometry & MOs

Info

ID:	145352
PubChem CID:	53505726
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	327.130695
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	3.22
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=NC=C1C(=O)NCCN2CCOCC2

DOS

IR

Vibrations