Geometry & MOs

Info

ID:	360014
PubChem CID:	127300163
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	-36.98
Dipole, Da:	6.48
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)F)NC(=O)N3CC4CCC3C4

DOS

IR

Vibrations