Geometry & MOs

Info

ID:	273936
PubChem CID:	103805940
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	254.124212
ΔH_f, kcal/mol:	15.68
Dipole, Da:	5.61
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NC3=CC=CC=C3N=C2)CN

DOS

IR

Vibrations