Geometry & MOs

Info

ID:	219287
PubChem CID:	85098467
Reduced:	ClF3O3N8C34H44 (1)
Stoich.:	AB3C3D8E34F44 (1)
Weight, g/mol:	709.187704
ΔH_f, kcal/mol:	-268.97
Dipole, Da:	2.94
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-(2,4,6-trichlorophenyl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCNCC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)NC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

DOS

IR

Vibrations