Geometry & MOs

Info

ID:	146378
PubChem CID:	53678128
Reduced:	SO3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	282.097998
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	2.7
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)OC)C2=CC=CS2

DOS

IR

Vibrations