Geometry & MOs

Info

ID:	346283
PubChem CID:	127270787
Reduced:	FSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	-234.83
Dipole, Da:	9.25
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CCC(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations