Geometry & MOs

Info

ID:	59915
PubChem CID:	24902393
Reduced:	ClFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	363.145756
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	2.75
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCC1OC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations