Geometry & MOs

Info

ID:	196134
PubChem CID:	78787105
Reduced:	BrClNSF3O3H10C14 (1)
Stoich.:	ABCDE3F3G10H14 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-237.2
Dipole, Da:	5.95
IP(EA), eV:	-9.11(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations