Geometry & MOs

Info

ID:	59834
PubChem CID:	24899005
Reduced:	NOC21H23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	365.102097
ΔH_f, kcal/mol:	7.19
Dipole, Da:	0.49
IP(EA), eV:	-8.58(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylsulfonylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=C4CCN(CC4)C

DOS

IR

Vibrations