Geometry & MOs

Info

ID:	154535
PubChem CID:	56313992
Reduced:	N2F3O3C24H31 (1)
Stoich.:	A2B3C3D24E31 (1)
Weight, g/mol:	453.192706
ΔH_f, kcal/mol:	-255.66
Dipole, Da:	3.3
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=CC(=C1)CNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations