Geometry & MOs

Info

ID:	59925
PubChem CID:	24902491
Reduced:	ClNF3O3C18H23 (1)
Stoich.:	ABC3D3E18F23 (1)
Weight, g/mol:	377.161406
ΔH_f, kcal/mol:	-311.1
Dipole, Da:	2.15
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)COC2=C(C=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations