Geometry & MOs

Info

ID:	436468
PubChem CID:	135203335
Reduced:	OCl2N2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	478.007689
ΔH_f, kcal/mol:	-103.28
Dipole, Da:	5.42
IP(EA), eV:	-9.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,2,2-trichloroethoxycarbonylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1COCC2=CC=NC=C2)N.Cl.Cl

DOS

IR

Vibrations