Geometry & MOs

Info

ID:	260916
PubChem CID:	103209465
Reduced:	ClION2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	254.124212
ΔH_f, kcal/mol:	-19.17
Dipole, Da:	5.22
IP(EA), eV:	-9.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1N)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations