Geometry & MOs

Info

ID:	140120
PubChem CID:	52651029
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	301.140197
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	4.22
IP(EA), eV:	-9.08(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-pyridin-3-ylethyl)-3-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)NCC2(CCC2)C3=CC=CC=C3

DOS

IR

Vibrations