Geometry & MOs

Info

ID:	49233
PubChem CID:	11532139
Reduced:	FOCl2N5H18C20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	435.143311
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	6.83
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=C(N=C2NC3=CC(=C(C=C3)OC)Cl)C4=CC=C(C=C4)F)C.Cl

DOS

IR

Vibrations