Geometry & MOs

Info

ID:	141390
PubChem CID:	52872010
Reduced:	SF2N2O3C15H18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-199.34
Dipole, Da:	6.56
IP(EA), eV:	-9.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3R)-1-propylpiperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H]2CS(=O)(=O)C[C@H]2NC(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations