Geometry & MOs

Info

ID:	247964
PubChem CID:	103077777
Reduced:	BrClFN2O2S2C10H11 (1)
Stoich.:	ABCD2E2F2G10H11 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-108.28
Dipole, Da:	4.43
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1NS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations