Geometry & MOs

Info

ID:	59919
PubChem CID:	24902444
Reduced:	NF2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	345.155178
ΔH_f, kcal/mol:	-227.02
Dipole, Da:	4.25
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=CC=C2F)F

DOS

IR

Vibrations