Geometry & MOs

Info

ID:	204659
PubChem CID:	79994566
Reduced:	SN3O4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	3.1
IP(EA), eV:	-9.56(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations