Geometry & MOs

Info

ID:	375160
PubChem CID:	131472728
Reduced:	ON2F3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	222.097998
ΔH_f, kcal/mol:	-188.8
Dipole, Da:	6.13
IP(EA), eV:	-9.48(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CN1CCC(C(C1)(CC(F)(F)F)C#N)O

DOS

IR

Vibrations