Geometry & MOs

Info

ID:	75009
PubChem CID:	48422853
Reduced:	NF3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-257.82
Dipole, Da:	5.68
IP(EA), eV:	-9.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1OC(F)(F)F)OCC2CC2

DOS

IR

Vibrations