Geometry & MOs

Info

ID:	395320
PubChem CID:	135025194
Reduced:	ClNO2F4H10C16 (1)
Stoich.:	ABC2D4E10F16 (1)
Weight, g/mol:	181.071448
ΔH_f, kcal/mol:	-235.53
Dipole, Da:	3.77
IP(EA), eV:	-9.35(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Cl)OC3=C(C1=O)C(=CC(=C3)C(F)(F)F)F

DOS

IR

Vibrations