Geometry & MOs

Info

ID:	294067
PubChem CID:	117426215
Reduced:	FSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	269.122735
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	7.27
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=C(C=C2)S(=O)(=O)C)F)N

DOS

IR

Vibrations