Geometry & MOs

Info

ID:	346759
PubChem CID:	127271263
Reduced:	FSN3O5C16H22 (1)
Stoich.:	ABC3D5E16F22 (1)
Weight, g/mol:	391.22712
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	3.72
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations