Geometry & MOs

Info

ID:	172614
PubChem CID:	75530107
Reduced:	ClF2N3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	204.040301
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	6.0
IP(EA), eV:	-9.38(0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(trifluoromethoxy)piperidine;chloride

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C)NCC(F)F.Cl

DOS

IR

Vibrations