Geometry & MOs

Info

ID:	281986
PubChem CID:	103914636
Reduced:	NSF2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	268.175105
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	3.28
IP(EA), eV:	-9.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-difluorophenyl)ethyl]-1-ethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)F)F)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations