Geometry & MOs

Info

ID:	26563
PubChem CID:	652939
Reduced:	O3N7C24H35 (1)
Stoich.:	A3B7C24D35 (1)
Weight, g/mol:	379.088972
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	3.52
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)CC4=NN=NN4CCOC

DOS

IR

Vibrations