Geometry & MOs

Info

ID:	139766
PubChem CID:	52591326
Reduced:	O2F3N3C21H26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-205.55
Dipole, Da:	3.63
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(4-piperidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

CCN(CC)[C@H](CNC(=O)NC1=CC=CC=C1C(F)(F)F)C2=CC(=CC=C2)OC

DOS

IR

Vibrations